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molecules_kida.csv
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Species Formula CAS Inchi Enthalpy T(K)_Enthalpy E_mean E_min E_max Pre-exponential_factor Order_factor Method Origin Reference Type_of_surface Description
Al Al NoData InChI=1S/Al NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Ar Ar NoData InChI=1S/Ar NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
AlO AlO NoData InChI=1S/Al.O NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C C 7440-44-0 InChI=1S/C 716.67±0.45 298 10000±3000 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C C 7440-44-0 InChI=1S/C 716.67±0.45 298 800 0 0 0.00E+0 1 Estimation Bibliography Tielens,A.G.G.M.etal.;1982;AstronomyandAstrophysics;114,245-260 H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C C 7440-44-0 InChI=1S/C 716.67±0.45 298 4000 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The value by Tielens & Hagen (1982) of 800 K is very likely underestimated. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
(13)C C NoData InChI=1S/C/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C(1D) C NoData InChI=1S/C NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C- C- 14337-00-9 InChI=1S/C/q-1 588.55±0.06 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C+ C+ 14067-05-1 InChI=1S/C/q+1 1809.444±0.8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Cl Cl 22537-15-1 InChI=1S/Cl 121.31±0.01 298 3000±900 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
Cl Cl 22537-15-1 InChI=1S/Cl 121.31±0.01 298 1100 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy same as S The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Cl+ Cl+ 24203-47-2 InChI=1S/Cl/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CR CR NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CRP CRP NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2 C2 12070-15-4 InChI=1S/C2/c1-2 826.799±0.3 298 10000±3000 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C2 C2 12070-15-4 InChI=1S/C2/c1-2 826.799±0.3 298 1600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2+ C2+ NoData InChI=1S/C2/c1-2/q+1 1980.05±2.5 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CCl CCl 3889-76-7 InChI=1S/CCl/c1-2 439.57±40 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CL+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CCl+ CCl+ NoData InChI=1S/CCl/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CD CD NoData InChI=1S/CH/h1H/i1D NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CF+ CF+ 33412-11-2 InChI=1S/CF/c1-2/q+1 1132±0.55 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH CH 3315-37-5 InChI=1S/CH/h1H 595.8±0.6 298 925 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH+ CH+ 24361-82-8 InChI=1S/CH/h1H/q+1 1630.571±0.28 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Cl2 Cl2 7782-50-5 InChI=1S/Cl2/c1-2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
ClO ClO 14989-30-1 InChI=1S/ClO/c1-2 101.22±2.1 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CL+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
ClO+ ClO+ NoData InChI=1S/ClO/c1-2/q+1 275.2±0.37 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CN CN 2074-87-5 InChI=1S/CN/c1-2 438.68±2 298 2800±840 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CN CN 2074-87-5 InChI=1S/CN/c1-2 438.68±2 298 1600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C+N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CN- CN- 57-12-5 InChI=1S/CN/c1-2/q-1 61.06±0.1 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CN+ CN+ 12539-57-0 InChI=1S/CN/c1-2/q+1 213.44 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
(13)CO CO NoData InChI=1S/CO/c1-2/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CO CO 630-08-0 InChI=1S/CO/c1-2 -110.53±0.17 298 1300±390 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CO CO 630-08-0 InChI=1S/CO/c1-2 -110.53±0.17 298 1150 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Herma Cuppen's suggestion. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CO+ CO+ NoData InChI=1S/CO/c1-2/q+1 1247.812±0.025 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CP CP 12326-85-1 InChI=1S/CP/c1-2 520.162±10 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C+P The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CP+ CP+ NoData InChI=1S/CP/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CS CS 2944-05-0 InChI=1S/CS/c1-2 278.55±3.8 298 3200±960 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CS CS 2944-05-0 InChI=1S/CS/c1-2 278.55±3.8 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C+S The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CS+ CS+ 12351-95-0 InChI=1S/CS/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CCH C2H 2122-48-7 InChI=1S/C2H/c1-2/h1H 568.056±0.3 298 3000±900 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CCH C2H 2122-48-7 InChI=1S/C2H/c1-2/h1H 568.056±0.3 298 2137 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H2 - H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H+ C2H+ NoData InChI=1S/C2H/c1-2/h1H/q+1 1697.1±0.18 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CCN C2N 4120-02-9 InChI=1S/C2N/c1-2-3 674.474±4.4 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CN+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2N+ C2N+ NoData InChI=1S/C2N/c1-2-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CCO C2O 12071-23-7 InChI=1S/C2O/c1-2-3 378.9±1.3 298 1950 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CO+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2O+ C2O+ NoData InChI=1S/C2O/c1-2-3/q+1 1442.8±2.2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CCP C2P NoData InChI=1S/C2P/c1-2-3 NoData NoData 4300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2+P The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CCS C2S 12602-41-4 InChI=1S/C2S/c1-2-3 608±20 0 2700 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C+C+S The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2S+ C2S+ NoData InChI=1S/C2S/c1-2-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3 C3 12075-35-3 InChI=1S/C3/c1-3-2 822.025±1.1 298 2500±750 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3 C3 12075-35-3 InChI=1S/C3/c1-3-2 822.025±1.1 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3- C3- 12595-80-1 InChI=1S/C3/c1-3-2/q-1 662.57±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3+ C3+ NoData InChI=1S/C3/c1-3-2/q+1 1988.9±3 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CCP+ CCP+ NoData InChI=1S/C2P/c1-2-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
(1)CH2 CH2 NoData InChI=1S/CH2/h1H2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2 CH2 2465-56-7 InChI=1S/CH2/h1H2 391.2±1.6 298 1400±420 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH2 CH2 2465-56-7 InChI=1S/CH2/h1H2 391.2±1.6 298 1050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH2+ CH2+ 15091-72-2 InChI=1S/CH2/h1H2/q+1 1399.825±0.15 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CHSi+ CHSi+ NoData InChI=1S/CHSi/c1-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
ClO2 ClO2 17376-09-9 InChI=1S/ClO2/c1-3-2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
ClOH ClOH 7790-92-3 InChI=1S/ClHO/c1-2/h2H NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CN2 CN2 2468-81-7 InChI=1S/CN2/c1-3-2 573.47±3.2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CNC+ CNC+ 78271-45-1 InChI=1S/C2N/c1-3-2/q+1 1623.85±6.2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CNO CNO NoData InChI=1S/CNO/c1-2-3 390.02±1.6 298 2400 0 0 1.20E+12 0 Measurements Bibliography Quan,D.etal.;2010;AstrophysicalJournal;725,2101-2109 H2O Pre-exponential factor is computed using Hasegawa et al. (1992)
CO2 CO2 124-38-9 InChI=1S/CO2/c2-1-3 -393.51±0.13 298 2600±780 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CO2 CO2 124-38-9 InChI=1S/CO2/c2-1-3 -393.51±0.13 298 2575 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CO2+ CO2+ 12181-61-2 InChI=1S/CO2/c2-1-3/q+1 943.137±0.023 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CSH+ CSH+ NoData InChI=1S/CHS/c1-2/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H2 C2H2 74-86-2 InChI=1S/C2H2/c1-2/h1-2H 228.2±0.15 298 2587±776.1 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C2H2 C2H2 74-86-2 InChI=1S/C2H2/c1-2/h1-2H 228.2±0.15 298 2587 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H2+ C2H2+ 25641-79-6 InChI=1S/C2H2/c1-2/h1-2H/q+1 1333.918±0.193 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2HO+ C2HO+ NoData InChI=1S/C2HO/c1-2-3/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCP C2HP NoData InChI=1S/C2HP/c1-2-3/h1H NoData NoData 4750 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H+CCP The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2N2 C2N2 460-19-5 InChI=1S/C2N2/c3-1-2-4 309.28±0.43 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2N2+ C2N2+ 37354-81-7 InChI=1S/C2N2/c3-1-2-4/q+1 1606.684±0.43 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC2N+ C2NH+ NoData InChI=1S/C2HN/c1-2-3/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-C3H C3H 132915-72-1 InChI=1S/C3H/c1-2-3-1/h1H 719.393±8 298 5200±1560 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
c-C3H C3H 132915-72-1 InChI=1S/C3H/c1-2-3-1/h1H 719.393±8 298 2937 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3H+ C3H+ NoData InChI=1S/C3H/c1-3-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3N C3N 12543-75-8 InChI=1S/C3N/c1-2-3-4 NoData NoData 3200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2N+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3N- C3N- NoData InChI=1S/C3N/c1-2-3-4/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3N+ C3N+ NoData InChI=1S/C3N/c1-2-3-4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3O C3O 11127-17-6 InChI=1S/C3O/c1-2-3-4 NoData NoData 2750 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CCO+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3O+ C3O+ NoData InChI=1S/C3O/c1-2-3-4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3P C3P NoData InChI=1S/C3P/c1-2-3-4 NoData NoData 5900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3+P The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3S C3S 109545-35-9 InChI=1S/C3S/c1-2-3-4 NoData NoData 3500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2S+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3S+ C3S+ NoData InChI=1S/C3S/c1-2-3-4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4 C4 NoData InChI=1S/C4/c1-3-4-2 1055.713±8 298 3200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4- C4- 59158-53-1 InChI=1S/C4/c1-3-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4+ C4+ NoData InChI=1S/C4/c1-3-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2Si+ CH2Si+ NoData InChI=1S/CH2Si/c1-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3 CH3 2229-07-4 InChI=1S/CH3/h1H3 146.7±0.08 298 1600±480 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3 CH3 2229-07-4 InChI=1S/CH3/h1H3 146.7±0.08 298 1175 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3+ CH3+ 14531-53-4 InChI=1S/CH3/h1H3/q+1 1101.792±0.077 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNCO CHNO NoData InChI=1S/CHNO/c2-1-3/h2H -118.6±0.37 298 4400±1320 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HNCO CHNO NoData InChI=1S/CHNO/c2-1-3/h2H -118.6±0.37 298 2800 0 0 1.28E+12 0 Measurements Bibliography Quan,D.etal.;2010;AstrophysicalJournal;725,2101-2109 H2O Pre-exponential factor is computed using Hasegawa et al. (1992)
HNCO CHNO NoData InChI=1S/CHNO/c2-1-3/h2H -118.6±0.37 298 2850 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of OCN+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HOCO CHO2 2564-86-5 InChI=1S/CHO2/c2-1-3/h(H,2,3) 183.97±0.55 298 2000 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2CCN C2H2N 2932-82-3 InChI=1S/C2H2N/c1-2-3/h1H2 257.78 298 4230 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH3CN-H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH2CN+ C2H2N+ NoData InChI=1S/C2H2N/c1-2-3/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CCO C2H2O 463-51-4 InChI=1S/C2H2O/c1-2-3/h1H2 -48.579±0.15 298 2800±840 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H2CCO C2H2O 463-51-4 InChI=1S/C2H2O/c1-2-3/h1H2 -48.579±0.15 298 2200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH2+CO The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2CCO+ C2H2O+ 64999-16-2 InChI=1S/C2H2O/c1-2-3/h1H2/q+1 885.29±0.15 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H3 C2H3 2669-89-8 InChI=1S/C2H3/c1-2/h1H,2H2 296.58±0.45 298 2800±840 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C2H3 C2H3 2669-89-8 InChI=1S/C2H3/c1-2/h1H,2H2 296.58±0.45 298 3037 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H3+ C2H3+ 14604-48-9 InChI=1S/C2H3/c1-2/h1H,2H2/q+1 1122.34±0.67 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2N2H+ C2N2H+ NoData InChI=1S/C2HN2/c3-1-2-4/h3H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-C3H2 C3H2 16165-40-5 InChI=1S/C3H2/c1-2-3-1/h1-2H 476.976 298 5900±1770 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
c-C3H2 C3H2 16165-40-5 InChI=1S/C3H2/c1-2-3-1/h1-2H 476.976 298 3387 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
t-C3H2 C3H2 2008-19-7 InChI=1S/C3H2/c1-3-2/h1-2H 543 300 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-C3H2+ C3H2+ 85398-75-0 InChI=1S/C3H2/c1-2-3-1/h1-2H/q+1 1382 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC3N+ C3HN+ 85398-68-1 InChI=1S/C3HN/c1-2-3-4/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H C4H 53561-65-2 InChI=1S/C4H/c1-3-4-2/h1H 780±50 298 3737 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4H- C4H- NoData InChI=1S/C4H/c1-3-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H+ C4H+ NoData InChI=1S/C4H/c1-3-4-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4N C4N 129066-33-7 InChI=1S/C4N/c1-2-3-4-5 NoData NoData 4000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3N+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4N+ C4N+ NoData InChI=1S/C4N/c1-2-3-4-5/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4P C4P NoData InChI=1S/C4P/c1-2-3-4-5 NoData NoData 7500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4+P The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4P+ C4P+ NoData InChI=1S/C4P/c1-2-3-4-5/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4S C4S 121180-87-8 InChI=1S/C4S/c1-2-3-4-5 NoData NoData 4300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3S+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4S+ C4S+ NoData InChI=1S/C4S/c1-2-3-4-5/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5 C5 12595-82-3 InChI=1S/C5/c1-3-5-4-2 1072.112±8 298 4000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5- C5- 64886-36-8 InChI=1S/C5/c1-3-5-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5+ C5+ NoData InChI=1S/C5/c1-3-5-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2NH+ CH2NH+ 2053-29-4 InChI=1S/CH3N/c1-2/h2H,1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCOOH CH2O2 64-18-6 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) -378.49±0.25 298 5570 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCOOH+ CH2O2+ 50614-05-6 InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/q+1 722.5±1.4 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2OH CH2OH 2597-43-5 InChI=1S/CH3O/c1-2/h2H,1H2 -17±0.44 298 4400±1320 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH2OH CH2OH 2597-43-5 InChI=1S/CH3O/c1-2/h2H,1H2 -17±0.44 298 5084 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH3OH - H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH2PH CH2PH 61183-53-7 InChI=1S/CH3P/c1-2/h2H,1H2 -281.83 0 2600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH2+P+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH2NH CH3N 2053-29-4 InChI=1S/CH3N/c1-2/h2H,1H2 91.2 0 5534 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3O CH3O 2143-68-2 InChI=1S/CH3O/c1-2/h1H3 21±0.36 298 4400±1320 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH2SH CH3S 17032-46-1 InChI=1S/CH3S/c1-2/h2H,1H2 150 0 3700±1110 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH4 CH4 74-82-8 InChI=1S/CH4/h1H4 -74.6±0.3 298 960±288 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH4 CH4 74-82-8 InChI=1S/CH4/h1H4 -74.6±0.3 298 1300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH4+ CH4+ 20741-88-2 InChI=1S/CH4/h1H4/q+1 1150±0.26 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CN C2H3N 75-05-8 InChI=1S/C2H3N/c1-2-3/h1H3 74.04±0.37 298 4680±1404 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3CN C2H3N 75-05-8 InChI=1S/C2H3N/c1-2-3/h1H3 74.04±0.37 298 4680 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3CN+ C2H3N+ 20818-40-0 InChI=1S/C2H3N/c1-2-3/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2CHO C2H3O 4400-01-5 InChI=1S/C2H3O/c1-2-3/h2H,1H2 12.753±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CO+ C2H3O+ NoData InChI=1S/C2H3O/c1-2-3/h1H3/q+1 665.789±1.1 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H4 C2H4 74-85-1 InChI=1S/C2H4/c1-2/h1-2H2 52.5±0.15 298 2500±750 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C2H4 C2H4 74-85-1 InChI=1S/C2H4/c1-2/h1-2H2 52.5±0.15 298 3487 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H3 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H4+ C2H4+ 34470-02-5 InChI=1S/C2H4/c1-2/h1H,2H3/q+1 1074.46±0.15 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC3NH+ C3H2N+ 150767-63-8 InChI=1S/C3H2N/c1-2-3-4/h1,4H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-C3H2O C3H2O NoData 1S/C3H2O/c4-3-1-2-3/h1-2H 140 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCCHO C3H2O 624-67-9 InChI=1S/C3H2O/c1-2-3-4/h1,3H 131 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2CCH C3H3 2932-78-7 InChI=1S/C3H3/c1-3-2/h1H,2H2 348.427±8 298 3300±990 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH2CCH C3H3 2932-78-7 InChI=1S/C3H3/c1-3-2/h1H,2H2 348.427±8 298 3837 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H2+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
c-C3H3+ C3H3+ NoData InChI=1S/C3H3/c1-2-3-1/h1-3H/q+1 1088 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H2 C4H2 460-12-8 InChI=1S/C4H2/c1-3-4-2/h1-2H 458.299±8 298 4187 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4H2+ C4H2+ 55468-55-8 InChI=1S/C4H2/c1-3-4-2/h1-2H/q+1 1447.72±0.9 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4N2+ C4N2+ 1071-98-3 InChI=1S/C4N2/c5-3-1-2-4-6/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H C5H NoData InChI=1S/C5H/c1-3-5-4-2/h1H NoData NoData 4537 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4H+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5H- C5H- NoData InChI=1S/C5H/c1-3-5-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H+ C5H+ NoData InChI=1S/C5H/c1-3-5-4-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5N C5N NoData InChI=1S/C5N/c1-2-3-4-5-6 NoData NoData 4800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4N+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5N+ C5N+ NoData InChI=1S/C5N/c1-2-3-4-5-6/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5O C5O NoData InChI=1S/C5O/c1-2-3-4-5-6 NoData NoData 4350 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CO + 4C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5S C5S NoData InChI=1S/C5S/c1-2-3-4-5-6 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6 C6 129066-00-8 InChI=1S/C6/c1-3-5-6-4-2 1227.3±8 298 4800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C6- C6- NoData InChI=1S/C6/c1-3-5-6-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6+ C6+ NoData InChI=1S/C6/c1-3-5-6-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2NH2 CH2NH2 10507-29-6 InChI=1S/CH4N/c1-2/h1-2H2 148.743±1.01 298 5534 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3CO CH3CO 15762-07-9 InChI=1S/C2H3O/c1-2-3/h1H3 -10.3±0.41 298 2650 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3CS+ CH3CS+ NoData InChI=1S/C2H3S/c1-2-3/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3NH CH3NH 49784-84-1 InChI=1S/CH4N/c1-2/h2H,1H3 178.556±0.89 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3O2+ CH3O2+ NoData InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p+1 1008.7±2.4 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3SH CH3SH 74-93-1 InChI=1S/CH4S/c1-2/h2H,1H3 -22.8 300 4000±1200 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH2NH2+ CH4N+ 54088-53-8 InChI=1S/CH4N/c1-2/h1-2H2/q+1 758.317±1.75 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3OH CH4O 67-56-1 InChI=1S/CH4O/c1-2/h2H,1H3 -200.94±0.18 298 5000±1500 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3OH CH4O 67-56-1 InChI=1S/CH4O/c1-2/h2H,1H3 -200.94±0.18 298 5534 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3OH+ CH4O+ 12538-91-9 InChI=1S/CH4O/c1-2/h2H,1H3/q+1 852.493±0.33 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH5+ CH5+ NoData InChI=1S/CH5/h1H5/q+1 917.22±0.5 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3NCO C2H3NO 624-83-9 InChI=1S/C2H3NO/c1-3-2-4/h1H3 NoData NoData 4700±1410 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3NCO+ C2H3NO+ NoData InChI=1S/C2H3NO/c1-3-2-4/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CNH+ C2H4N+ 73843-91-1 InChI=1S/C2H4N/c1-2-3/h3H,1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CHO C2H4O 75-07-0 InChI=1S/C2H4O/c1-2-3/h2H,1H3 -166.19±0.32 298 5400±1620 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3CHO C2H4O 75-07-0 InChI=1S/C2H4O/c1-2-3/h2H,1H3 -166.19±0.32 298 2450 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH4+CO The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H4O+ C2H4O+ NoData InChI=1S/C2H4O/c1-2-3/h2H,1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H5 C2H5 2025-56-1 InChI=1S/C2H5/c1-2/h1H2,2H3 119.7±0.36 298 3100±930 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C2H5 C2H5 2025-56-1 InChI=1S/C2H5/c1-2/h1H2,2H3 119.7±0.36 298 3937 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H4 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H5+ C2H5+ 14936-94-8 InChI=1S/C2H5/c1-2-3-1/h1-2H2/q+1 909.095±0.41 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H2CN C3H2CN NoData InChI=1S/C4H2N/c1-2-3-4-5/h1H2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2CHCN C3H3N 107-13-1 InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 184.037±8 298 5480 0 0 0.00E+0 1 Estimation Database:OSU H2O HC3N+H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3H3N+ C3H3N+ NoData InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CCH C3H4 74-99-7 InChI=1S/C3H4/c1-3-2/h1H,2H3 190.92±0.37 298 3800±1140 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3CCH C3H4 74-99-7 InChI=1S/C3H4/c1-3-2/h1H,2H3 190.92±0.37 298 4287 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H3+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH2CCH2 C3H4 463-49-0 InChI=1S/C3H4/c1-3-2/h1-2H2 NoData NoData 3000±900 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3H4+ C3H4+ 65812-77-3 InChI=1S/C3H4/c1-3-2/h1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H3 C4H3 NoData InChI=1S/C4H3/c1-3-4-2/h1-3H 543.104±8 298 4637 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4H2+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4H3+ C4H3+ NoData InChI=1S/C4H3/c1-3-4-2/h1H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4N2H+ C4N2H+ NoData InChI=1S/C4N2/c5-3-1-2-4-6/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H2 C5H2 NoData InChI=1S/C5H2/c1-3-5-4-2/h1H2 691.299 298 4987 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5H2+ C5H2+ 103928-85-4 InChI=1S/C5H2/c1-3-5-4-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC5N+ C5HN+ 74941-84-7 InChI=1S/C5HN/c1-2-3-4-5-6/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H C6H 88053-50-3 InChI=1S/C6H/c1-3-5-6-4-2/h1H 1000±75 298 5337 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5H+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C6H- C6H- NoData InChI=1S/C6H/c1-3-5-6-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H+ C6H+ NoData InChI=1S/C6H/c1-3-5-6-4-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6N C6N 129066-34-8 InChI=1S/C6N/c1-2-3-4-5-6-7 NoData NoData 5600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CN + 5C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C6N+ C6N+ NoData InChI=1S/C6N/c1-2-3-4-5-6-7/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7 C7 129066-01-9 InChI=1S/C7/c1-3-5-7-6-4-2 1322.34±8 298 5600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C6 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7- C7- 64886-38-0 InChI=1S/C7/c1-3-5-7-6-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7+ C7+ NoData InChI=1S/C7/c1-3-5-7-6-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CHS CH3CHS NoData InChI=1S/C2H4S/c1-2-3/h2H,1H3 50±8 300 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3SH2+ CH3SH2+ NoData InChI=1S/CH4S/c1-2/h2H,1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3NH2 CH5N 74-89-5 InChI=1S/CH5N/c1-2/h2H2,1H3 -20.91±0.53 298 6584 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH2+NH3 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3NH2+ CH5N+ NoData InChI=1S/CH5N/c1-2/h2H2,1H3/q+1 859.387±2.28 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3OH2+ CH5O+ NoData InChI=1S/CH4O/c1-2/h2H,1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H3NH2 C2H3NH2 593-67-9 InChI=1S/C2H5N/c1-2-3/h2H,1,3H2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3NCOH+ C2H4NO+ NoData InChI=1S/C2H4NO/c1-3-2-4/h1H3,(H,3,4)/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H5N+ C2H5N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CHOH+ C2H5O+ NoData InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H6 C2H6 74-84-0 InChI=1S/C2H6/c1-2/h1-2H3 -83.852±0.2 298 1600±480 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C2H6 C2H6 74-84-0 InChI=1S/C2H6/c1-2/h1-2H3 -83.852±0.2 298 4387 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H5 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H6+ C2H6+ 34488-65-8 InChI=1S/C2H6/c1-2/h1-2H3/q+1 1036.13±0.6 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H3NH+ C3H4N+ NoData InChI=1S/C3H4N/c1-2-3-4/h2,4H,1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H3CHO C3H4O 107-02-8 1S/C3H4O/c1-2-3-4/h2-3H,1H2 -67 0 5400±1620 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3H5 C3H5 1981-80-2 InChI=1S/C3H5/c1-3-2/h3H,1-2H2 168.6±1.5 298 3100±930 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3H5 C3H5 1981-80-2 InChI=1S/C3H5/c1-3-2/h3H,1-2H2 168.6±1.5 298 4737 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H4+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3H5+ C3H5+ 50457-58-4 InChI=1S/C3H5/c1-3-2/h3H,1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H2CN C4H2CN NoData InChI=1S/C5H2N/c1-2-3-4-5-6/h1-2H NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H4 C4H4 689-97-4 InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2 287.859±8 298 5087 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4H3+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4H4+ C4H4+ 34531-09-4 InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC5NH+ C5H2N+ NoData InChI=1S/C5HN/c1-2-3-4-5-6/h1H NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H3 C5H3 NoData InChI=1S/C5H3/c1-3-5-4-2/h1H,2H2 602.58 298 5437 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5H3+ C5H3+ NoData InChI=1S/C5H3/c1-3-5-4-2/h1H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H2 C6H2 3161-99-7 InChI=1S/C6H2/c1-3-5-6-4-2/h1-2H 700.82 298 5787 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C6H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C6H2+ C6H2+ 61866-06-6 InChI=1S/C6H2/c1-3-5-6-4-2/h1-2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H C7H 129066-03-1 InChI=1S/C7H/c1-3-5-7-6-4-2/h1H NoData NoData 6137 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C6H+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7H- C7H- NoData InChI=1S/C7H/c1-3-5-7-6-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H+ C7H+ NoData InChI=1S/C7H/c1-3-5-7-6-4-2/h1H/Q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7N C7N 123219-80-7 InChI=1S/C7N/c1-2-3-4-5-6-7-8 NoData NoData 6400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5N+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7N+ C7N+ NoData InChI=1S/C7N/c1-2-3-4-5-6-7-8/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7O C7O NoData NoData NoData NoData 5950 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CO + 6C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8 C8 107603-01-0 InChI=1S/C8/c1-3-5-7-8-6-4-2 1458.866 298 6400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8- C8- 130390-64-6 InChI=1S/C8/c1-3-5-7-8-6-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8+ C8+ NoData InChI=1S/C8/c1-3-5-7-8-6-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3C3N CH3C3N 13752-78-8 InChI=1S/C4H3N/c1-2-3-4-5/h1H3 NoData NoData 6480 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H3N+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3CHSH+ CH3CHSH+ NoData InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3OCH2 CH3OCH2 16520-04-0 InChI=1S/C2H5O/c1-3-2/h1H2,2H3 NoData NoData 3500 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3NH3+ CH6N+ NoData InChI=1S/CH5N/c1-2/h2H2,1H3/p+1 615.9±2.44 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
COOCH4+ COOCH4+ NoData InChI=1S/C2H4O2/c1-2(3)4/h3H,1H3/q+1 888.25±5.5 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CH2OH C2H5OH 64-17-5 InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 -234.95±0.22 298 5400±1620 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3CH2OH C2H5OH 64-17-5 InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 -234.95±0.22 298 6584 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH3OH+CH2 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H5OH+ C2H5OH+ NoData InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/q+1 784.495±0.74 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H7+ C2H7+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H5N+ C3H5N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3CHCH2 C3H6 115-07-1 InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 20±0.33 298 3100±930 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
CH3CHCH2 C3H6 115-07-1 InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 20±0.33 298 5187 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H5+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3H6+ C3H6+ 115-07-1 InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H3CN C4H3CN NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3C4NH+ C4H4N+ NoData InChI=1S/C4H3N/c1-2-3-4-5/h1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H5 C4H5 3315-45-2 InChI=1S/C4H5/c1-3-4-2/h1,4H,2H3 363.339±8 298 5537 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4H4+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4H5+ C4H5+ NoData InChI=1S/C4H5/c1-3-4-2/h1H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H3N+ C5H3N+ NoData InChI=1S/C5H3N/c1-2-3-4-5-6/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H4 C5H4 NoData NoData NoData NoData 5887 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C5H4+ C5H4+ 72672-22-1 InChI=1S/C5H4/c1-3-5-4-2/h1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H3 C6H3 NoData NoData 725.07±8 298 6237 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C6H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C6H3+ C6H3+ NoData InChI=1S/C6H3/c1-3-5-6-4-2/h1H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6N2H+ C6N2H+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H2 C7H2 117992-79-7 InChI=1S/C7H2/c1-3-5-7-6-4-2/h1H2 NoData NoData 6587 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7H + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7H2+ C7H2+ 129066-06-4 InChI=1S/C7H2/c1-3-5-7-6-4-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC7N+ C7HN+ 129066-55-3 InChI=1S/C7HN/c1-2-3-4-5-6-7-8/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H C8H NoData InChI=1S/C8H/c1-3-5-7-8-6-4-2/h1H 1230±100 298 6937 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7H+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8H- C8H- NoData InChI=1S/C8H/c1-3-5-7-8-6-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H+ C8H+ NoData InChI=1S/C8H/c1-3-5-7-8-6-4-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8N C8N 129066-35-9 NoData NoData NoData 7200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CN + 7C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8N+ C8N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9 C9 129066-02-0 InChI=1S/C9/c1-3-5-7-9-8-6-4-2 1563.57±8 298 7200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C8 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C9- C9- 119128-42-6 InChI=1S/C9/c1-3-5-7-9-8-6-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9+ C9+ NoData InChI=1S/C9/c1-3-5-7-9-8-6-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3C4H CH3C4H 4911-55-1 InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3 NoData NoData 5887 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C5H4 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3OCH3 CH3OCH3 115-10-6 InChI=1S/C2H6O/c1-3-2/h1-2H3 -183.935±0.45 298 3150 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH3+CH3+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3OCH3+ CH3OCH3+ NoData InChI=1S/C2H6O/c1-3-2/h1-2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C10 C10 115424-14-1 InChI=1S/C10/c1-3-5-7-9-10-8-6-4-2 1665±12.5 298 8000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C9 + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C10- C10- 130390-65-7 InChI=1S/C10/c1-3-5-7-9-10-8-6-4-2/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C10+ C10+ NoData InChI=1S/C10/c1-3-5-7-9-10-8-6-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H5OH2+ C2H5OH2+ NoData InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3COCH3 C2H6CO 67-64-1 InChI=1S/C3H6O/c1-3(2)4/h1-2H3 -214.814±0.37 298 3500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CH3+CH3+CO The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C2H6CO+ C2H6CO+ NoData InChI=1S/C3H6O/c1-3(2)4/h1-2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H5CN C3H5CN 109-75-1 InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H5NH+ C3H5NH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H5CHO C3H6O 123-38-6 1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 -189 0 4500±1350 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3H7 C3H7 2143-61-5 InChI=1S/C3H7/c1-3-2/h1,3H2,2H3 101.32±1 298 3100±930 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3H7 C3H7 2143-61-5 InChI=1S/C3H7/c1-3-2/h1,3H2,2H3 101.32±1 298 5637 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H6+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3H7+ C3H7+ NoData InChI=1S/C3H7/c1-3-2/h1,3H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H5N+ C4H5N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH2CHCHCH2 C4H6 106-99-0 InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2 110.834±8 298 5987 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C4H5+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C4H6+ C4H6+ 106-99-0 InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H4N+ C5H4N+ NoData InChI=1S/C5H4N/c1-2-3-4-5-6/h4H,1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H5 C5H5 78596-31-3 InChI=1S/C5H5/c1-3-5-4-2/h1,4-5H,2H2 384.93±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H5+ C5H5+ NoData InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H4 C6H4 NoData NoData 523.105±8 298 6687 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C6H3 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C6H4+ C6H4+ 70220-84-7 InChI=1S/C6H4/c1-3-5-6-4-2/h1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H2N+ C7H2N+ NoData InChI=1S/C7HN/c1-2-3-4-5-6-7-8/h1H/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H3 C7H3 NoData NoData NoData NoData 7037 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7H3+ C7H3+ NoData InChI=1S/C7H3/c1-3-5-7-6-4-2/h1H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H2 C8H2 6165-96-4 InChI=1S/C8H2/c1-3-5-7-8-6-4-2/h1-2H 900±60 298 7387 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C8H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8H2+ C8H2+ 61866-07-7 InChI=1S/C8H2/c1-3-5-7-8-6-4-2/h1-2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H C9H NoData InChI=1S/C9H/c1-3-5-7-9-8-6-4-2/h1H NoData NoData 7737 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C8H+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C9H- C9H- NoData InChI=1S/C9H/c1-3-5-7-9-8-6-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H+ C9H+ NoData InChI=1S/C9H/c1-3-5-7-9-8-6-4-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9N C9N NoData InChI=1S/C9N/c1-2-3-4-5-6-7-8-9-10 NoData NoData 8000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7N+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C9N+ C9N+ NoData InChI=1S/C9N/c1-2-3-4-5-6-7-8-9-10/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9O C9O NoData InChI=1S/C9O/c1-5-7-8(3)9(6-2)10-4 NoData NoData 7550 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CO + 8C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3C5N CH3C5N NoData InChI=1S/C6H3N/c1-2-3-4-5-6-7/h1H3 NoData NoData 7880 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H3C5N+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
CH3OCH4+ CH3OCH4+ NoData InChI=1S/C2H6O/c1-3-2/h1-2H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C10H C10H NoData InChI=1S/C10H/c1-3-5-7-9-10-8-6-4-2/h1H 1450±125 298 8450 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C10H- C10H- NoData InChI=1S/C10H/c1-3-5-7-9-10-8-6-4-2/h1H/q-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C10H+ C10H+ NoData InChI=1S/C10H/c1-3-5-7-9-10-8-6-4-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C10N C10N 140858-34-0 NoData NoData NoData 8800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CN + 9C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C10N+ C10N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C11 C11 136250-46-9 InChI=1S/C11/c1-3-5-7-9-11-10-8-6-4-2 1792.06±8 298 9600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C11+ C11+ NoData InChI=1S/C11/c1-3-5-7-9-11-10-8-6-4-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H6OH+ C3H6OH+ NoData InChI=1S/C3H6O/c1-3(2)4/h1-2H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H8 C3H8 74-98-6 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 -104.68±0.29 298 1600±480 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
C3H8 C3H8 74-98-6 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 -104.68±0.29 298 6087 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H7+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C3H8+ C3H8+ NoData InChI=1S/C3H8/c1-3-2/h3H2,1-2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H5NH+ C4H5NH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H7 C4H7 6533831-0 InChI=1S/C4H7/c1-3-4-2/h3-4H,1H2,2H3 204.595±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H7+ C4H7+ NoData InChI=1S/C4H7/c1-3-4-2/h1H3,2H4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H5N+ C5H5N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H6 C5H6 2206-23-7 InChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3 253.927±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3C6NH+ C6H4N+ NoData InChI=1S/C6H3N/c1-2-3-4-5-6-7/h1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-C6H5 C6H5 02/01/96 InChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H 337.3±0.6 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H5+ C6H5+ 17333-73-2 InChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H/q+1 1143.03±0.93 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3C7N+ C7H3N+ NoData InChI=1S/C7H3N/c1-2-3-4-5-6-7-8/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H4 C7H4 NoData InChI=1S/C7H4/c1-3-5-7-6-4-2/h1-2H2 NoData NoData 7487 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7H3 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7H4+ C7H4+ NoData InChI=1S/C7H4/c1-3-5-7-6-4-2/h1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H3 C8H3 NoData NoData NoData NoData 7837 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C8H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8H3+ C8H3+ NoData InChI=1S/C8H3/c1-3-5-7-8-6-4-2/h1H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H2 C9H2 NoData InChI=1S/C9H2/c1-3-5-7-9-8-6-4-2/h1H2 NoData NoData 8187 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C9H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C9H2+ C9H2+ NoData InChI=1S/C9H2/c1-3-5-7-9-8-6-4-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9HN+ C9HN+ 129066-57-5 InChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3C6H CH3C6H 66486-68-8 InChI=1S/C7H4/c1-3-5-7-6-4-2/h1H,2H3 NoData NoData 7487 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C7H4 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C10H2 C10H2 32597-32-3 InChI=1S/C10H2/c1-3-5-7-9-10-8-6-4-2/h1-2H 1120±80 298 8550 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C10H2+ C10H2+ NoData InChI=1S/C10H2/c1-3-5-7-9-10-8-6-4-2/h1-2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C3H9+ C3H9+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H8 C4H8 106-98-9 InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H8+ C4H8+ NoData InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H7 C5H7 NoData NoData 205.455±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H7+ C5H7+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H6 C6H6 71-43-2 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H 82.88±0.26 298 7587 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C6H4+H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C7H5 C7H5 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H5+ C7H5+ NoData InChI=1S/C7H5/c1-3-5-7-6-4-2/h1H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H4 C8H4 NoData NoData NoData NoData 8287 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C8H3 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C8H4+ C8H4+ NoData InChI=1S/C8H4/c1-3-5-7-8-6-4-2/h1-2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H2N+ C9H2N+ NoData InChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H3 C9H3 NoData NoData NoData NoData 8637 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C9H2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C9H3+ C9H3+ NoData InChI=1S/C9H3/c1-3-5-7-9-8-6-4-2/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3C7N CH3C7N NoData InChI=1S/C8H3N/c1-2-3-4-5-6-7-8-9/h1H3 NoData NoData 9480 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H3C7N+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C10H3+ C10H3+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H9 C4H9 2492-36-6 InChI=1S/C4H9/c1-3-4-2/h1,3-4H2,2H3 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H9+ C4H9+ NoData InChI=1S/C4H9/c1-3-4-2/h1,3-4H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H8 C5H8 504-60-9 InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3 84.157±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H7 C6H7 NoData NoData 431.387±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H7+ C6H7+ NoData InChI=1S/C6H7/c1-3-5-6-4-2/h1H3,2H4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H6 C7H6 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H4N+ C8H4N+ NoData InChI=1S/C8H3N/c1-2-3-4-5-6-7-8-9/h1H3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H5+ C8H5+ NoData InChI=1S/C8H5/c1-3-5-7-8-6-4-2/h1H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H3N+ C9H3N+ NoData InChI=1S/C9H3N/c1-2-3-4-5-6-7-8-9-10/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H4 C9H4 NoData NoData NoData NoData 9087 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C9H3 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
C9H4+ C9H4+ NoData InChI=1S/C9H4/c1-3-5-7-9-8-6-4-2/h1H,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C4H10 C4H10 106-97-8 InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 -125.79±0.38 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H9 C5H9 17829-37-7 InChI=1S/C5H9/c1-3-5-4-2/h3,5H,1,4H2,2H3 174.615±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H9+ C5H9+ NoData InChI=1S/C5H9/c1-3-5-4-2/h3,5H,1,4H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H7N+ C6H7N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H8 C6H8 2806-56-6 InChI=1S/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3/b6-5+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H7 C7H7 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H7+ C7H7+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H6 C8H6 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H6+ C8H6+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H5+ C9H5+ NoData InChI=1S/C9H5/c1-3-5-7-9-8-6-4-2/h1H2,2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H10 C5H10 109-67-1 InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3 -21.28 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H7NH+ C6H7NH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H9 C6H9 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H8 C7H8 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C8H7+ C8H7+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H11 C5H11 3744-21-6 InChI=1S/C5H11/c1-3-5-4-2/h1,3-5H2,2H3 60.98±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H10 C6H10 NoData NoData 58.513±1.2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H9 C7H9 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H7+ C9H7+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C5H12 C5H12 109-66-0 InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 -152.31±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H11 C6H11 NoData NoData 162.502±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C7H10 C7H10 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C9H8+ C9H8+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H12 C6H12 592-41-6 InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3 -39.4±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H13 C6H13 2679-29-0 InChI=1S/C6H13/c1-3-5-6-4-2/h1,3-6H2,2H3 25.1 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C6H14 C6H14 110-54-3 InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 -166.92±0.48 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C14H10 C14H10 120-12-7 InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C14H10+ C14H10+ NoData InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C15H9+ C15H9+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
D D NoData InChI=1S/H/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
D2 D2 7782-39-0 InChI=1S/H2/h1H/i1+1D NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
e- e- NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
F F 14762-94-8 InChI=1S/F 79.39±0.058 298 800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The energy is the same as O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
F+ F+ 14701-13-4 InChI=1S/F/q+1 1766.661±0.059 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Fe Fe 7439-89-6 InChI=1S/Fe 415.5±1.3 298 4200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Fe+ Fe+ 14067-02-8 InChI=1S/Fe/q+1 1181.144 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
FeH FeH NoData NoData NoData NoData 4650 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Fe + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
FO FO 12061-70-0 InChI=1S/FO/c1-2 111.267±0.15 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
FNO FNO 7789-25-5 InChI=1S/FNO/c1-2-3 -65±2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
FO2 FO2 15499-23-7 InChI=1S/F2O/c1-3-2 521.222±0.88 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H H 12385-13-6 InChI=1S/H 217.998±0.001 298 650±195 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H H 12385-13-6 InChI=1S/H 217.998±0.001 298 450 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H- H- 12184-88-2 InChI=1S/H/q-1 139.031±1.0E-5 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H+ H+ 12408-02-5 InChI=1S/p+1 1536.244±1.0E-5 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
He He 7440-59-7 InChI=1S/He 0 298 100 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
He+ He+ 14234-48-1 InChI=1S/He/q+1 2378.519±0.001 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2 H2 1333-74-0 InChI=1S/H2/h1H 0 298 440±132 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H2 H2 1333-74-0 InChI=1S/H2/h1H 0 298 450 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2+(J=10) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=2) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=7) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=4) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=9) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=1) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=6) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=3) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+ H2+ 12184-90-6 InChI=1S/H2/h1H/q+1 1494.677±1.1 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=8) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2+(J=5) H2+ NoData InChI=1S/H2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCl HCl 7647-01-0 InChI=1S/ClH/h1H -92.31±0.006 298 5174±1 0 0 0.00E+0 0 Measurements Bibliography Olanrewaju,B.O.etal.;2011;TheJournalofPhysicalChemistryA;115,5936-5942 H2O
HCl HCl 7647-01-0 InChI=1S/ClH/h1H -92.31±0.006 298 5172±1551.6 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HCl+ HCl+ 12258-94-5 InChI=1S/ClH/h1H/q+1 1143.81±0.005 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=7) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=10) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+ HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=2) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=9) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=6) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=4) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=1) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=8) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=5) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HD+(J=3) HD+ NoData InChI=1S/H2/h1H/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HeH+ HeH+ NoData InChI=1S/HHe/h1H/q+1 1357.834±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HF HF 7664-39-3 InChI=1S/FH/h1H -272.864±0.06 298 7500±2250 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HF HF 7664-39-3 InChI=1S/FH/h1H -272.864±0.06 298 2850 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The energy is the same as OH. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HF+ HF+ 12381-92-9 InChI=1S/FH/h1H/q+1 1281.847±0.06 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HS HS 13940-21-1 InChI=1S/HS/h1H 141.87±0.52 298 2700±810 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HS HS 13940-21-1 InChI=1S/HS/h1H 141.87±0.52 298 1450 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H2S - 300K. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HS+ HS+ NoData InChI=1S/HS/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2Cl+ H2Cl+ 42348-41-4 InChI=1S/ClH2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2D+ H2D+ NoData InChI=1S/H3/c1-2-3-1/q+1/i1+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2F+ H2F+ 12206-67-6 InChI=1S/FH2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2O H2O 7732-18-5 InChI=1S/H2O/h1H2 -241.826±0.03 298 5600±1680 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H2O H2O 7732-18-5 InChI=1S/H2O/h1H2 -241.826±0.03 298 5700 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2O+ H2O+ 56583-62-1 InChI=1S/H2O/h1H2/q+1 981.806±0.033 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2S H2S 7783-06-4 InChI=1S/H2S/h1H2 -20.6±0.5 298 2700±810 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H2S H2S 7783-06-4 InChI=1S/H2S/h1H2 -20.6±0.5 298 2743 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2S+ H2S+ 77544-69-5 InChI=1S/H2S/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3+ H3+ 28132-48-1 InChI=1S/H3/c1-2-3-1/q+1 1112.89±0.013 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCN HCN 74-90-8 InChI=1S/CHN/c1-2/h1H 129.799±0.1 298 3700±1110 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HCN HCN 74-90-8 InChI=1S/CHN/c1-2/h1H 129.799±0.1 298 2050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H+CN The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCN+ HCN+ 12601-62-6 InChI=1S/CHN/c1-2/h1H/q+1 1448.748±0.21 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCO HCO 2597-44-6 InChI=1S/CHO/c1-2/h1H 42.3±0.3 298 2400±720 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HCO HCO 2597-44-6 InChI=1S/CHO/c1-2/h1H 42.3±0.3 298 1600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CO+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCO+ HCO+ 17030-74-9 InChI=1S/CHO/c1-2/h1H/q+1 833.94±0.26 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCP HCP 6829-52-3 InChI=1S/CHP/c1-2/h1H 216.363±8 298 2350 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H+C+P The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCP+ HCP+ 79606-14-7 InChI=1S/CHP/c1-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCS HCS 36058-28-3 InChI=1S/CHS/c1-2/h1H 282.47±8 298 2900±870 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HCS HCS 36058-28-3 InChI=1S/CHS/c1-2/h1H 282.47±8 298 2350 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of CS+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCS+ HCS+ 59348-25-3 InChI=1S/CHS/c1-2/h1H/q+1 242.6±2 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCSi HCSi NoData InChI=1S/CHSi/c1-2/h1H NoData NoData 3625 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+CH The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNC HNC 6914-07-4 InChI=1S/CHN/c1-2/h2H 191.908±0.57 298 3800±1140 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HNC HNC 6914-07-4 InChI=1S/CHN/c1-2/h2H 191.908±0.57 298 2050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HCN The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNC+ HNC+ 74158-11-5 InChI=1S/CHN/c1-2/h2H/q+1 1359.05±1.4 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNO HNO 14332-28-6 InChI=1S/HNO/c1-2/h1H 106.842±0.125 298 3000±900 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HNO HNO 14332-28-6 InChI=1S/HNO/c1-2/h1H 106.842±0.125 298 2050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H+N+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNO+ HNO+ 63559-87-5 InChI=1S/HNO/c1-2/h1H/q+1 1095.75±0.7 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNS+ HNS+ NoData InChI=1S/HNS/c1-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNSi HNSi 14515-04-9 InChI=1S/HNSi/c1-2/h1H NoData NoData 5078 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+NH The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNSi+ HNSi+ NoData InChI=1S/HNSi/c1-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HOC+ HOC+ 60528-75-8 InChI=1S/CHO/c1-2/h1H/q+1 993.859±0.8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HPN+ HPN+ NoData InChI=1S/HNP/c1-2/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HPO HPO 13817-06-6 InChI=1S/HOP/c1-2/h2H -93.7±4.2 298 2350 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of H+P+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HPO+ HPO+ NoData InChI=1S/HOP/c1-2/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSS HS2 14541-24-3 InChI=1S/HS2/c1-2/h1H NoData NoData 2650 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of S2+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HSiO+ HSiO+ 66106-76-1 InChI=1S/HOSi/c1-2/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSiS+ HSiS+ NoData InChI=1S/HSSi/c1-2/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSO HSO NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSO+ HSO+ NoData InChI=1S/HOS/c1-2/h2H/q+1 954±20 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CCl+ H2CCl+ 59000-00-9 InChI=1S/CH2Cl/c1-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CN H2CN 15845-29-1 InChI=1S/CH2N/c1-2/h1H2 238.569±0.93 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HCN+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2CO H2CO 50-00-0 InChI=1S/CH2O/c1-2/h1H2 -109.16±0.11 298 4500±1350 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H2CO H2CO 50-00-0 InChI=1S/CH2O/c1-2/h1H2 -109.16±0.11 298 2050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HCO+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2CO+ H2CO+ 54288-05-0 InChI=1S/CH2O/c1-2/h1H2/q+1 948.386±0.13 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CS H2CS 865-36-1 InChI=1S/CH2S/c1-2/h1H2 114.951±8 298 4400±1320 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
H2CS H2CS 865-36-1 InChI=1S/CH2S/c1-2/h1H2 114.951±8 298 2700 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HCS+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2CS+ H2CS+ 61356-81-8 InChI=1S/CH2S/c1-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2NC+ H2NC+ 38263-97-7 InChI=1S/CH2N/c1-2/h2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2NO+ H2NO+ NoData InChI=1S/H2NO/c1-2/h1H2/q+1 945.38±0.84 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HOOH H2O2 7722-84-1 InChI=1S/H2O2/c1-2/h1-2H -135.88±0.64 298 6000±1800 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HOOH H2O2 7722-84-1 InChI=1S/H2O2/c1-2/h1-2H -135.88±0.64 298 5700 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of OH+OH. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2PO+ H2PO+ NoData InChI=1S/H2OP/c1-2/h2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSSH H2S2 13465-07-1 InChI=1S/H2S2/c1-2/h1-2H 15.5±2.1 298 3100 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of S2H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2S2+ H2S2+ 63228-83-1 InChI=1S/H2S2/c1-2/h1-2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2SiO H2SiO 22755-01-7 InChI=1S/H2OSi/c1-2/h2H2 NoData NoData 4050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+O+O+H2 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2SiO+ H2SiO+ NoData InChI=1S/H2OSi/c1-2/h2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2SO H2SO NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3O+ H3O+ 13968-08-6 InChI=1S/H2O/h1H2/p+1 603.417±0.61 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3S+ H3S+ 18155-21-0 InChI=1S/H2S/h1H2/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC2N HC2N 2612-62-6 InChI=1S/C2HN/c1-2-3/h1H 476.541±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC2O HC2O 51095-15-9 InChI=1S/C2HO/c1-2-3/h1H 175 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2O + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC2S+ HC2S+ NoData InChI=1S/C2HS/c1-2-3/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
l-C3H HC3 53590-28-6 InChI=1S/C3H/c1-3-2/h1H 719.393±8 298 4000±1200 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
l-C3H HC3 53590-28-6 InChI=1S/C3H/c1-3-2/h1H 719.393±8 298 2937 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C2H + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCCS HCCS 79010-88-1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCNH+ HCNH+ 38263-97-7 InChI=1S/CH2N/c1-2/h1-2H/q+1 955.58±1.6 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCNO HCNO NoData InChI=1S/CHNO/c1-2-3/h1H 167.603±1.2 298 2800 0 0 1.28E+12 0 Measurements Bibliography Quan,D.etal.;2010;AstrophysicalJournal;725,2101-2109 H2O Pre-exponential factor is computed using Hasegawa et al. (1992)
HCNO+ HCNO+ NoData InChI=1S/CHNO/c1-2-3/h1H/q+1 1218.89±1.53 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCNS HCNS NoData InChI=1S/CHNS/c1-2-3/h1H 264 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCNS+ HCNS+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HOCO+ HCO2+ 638-71-1 InChI=1S/CHO2/c2-1-3/h(H,2,3)/q+1 604.166±0.472 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HDCO HDCO NoData InChI=1S/CH2O/c1-2/h1H2/i1D NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HN2O+ HN2O+ NoData InChI=1S/N2O/c1-2-3/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNCO+ HNCO+ NoData InChI=1S/CHNO/c2-1-3/h2H/q+1 1006.582±0.54 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNCS HNCS NoData InChI=1S/CHNS/c2-1-3/h2H 116 0 4600±1380 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
HNCS+ HNCS+ NoData InChI=1S/CHNS/c2-1-3/h2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HOCN HOCN NoData InChI=1S/CHNO/c2-1-3/h3H -15.456±20 298 2800 0 0 1.28E+12 0 Measurements Bibliography Quan,D.etal.;2010;AstrophysicalJournal;725,2101-2109 H2O Pre-exponential factor is computed using Hasegawa et al. (1992)
HOCN+ HOCN+ NoData InChI=1S/CHNO/c2-1-3/h3H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HOCS+ HOCS+ NoData InChI=1S/CHOS/c2-1-3/h(H,2,3)/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HONC HONC NoData InChI=1S/CHNO/c1-2-3/h3H 233.15±1.02 298 2800 0 0 1.28E+12 0 Measurements Bibliography Quan,D.etal.;2010;AstrophysicalJournal;725,2101-2109 H2O Pre-exponential factor is computed using Hasegawa et al. (1992)
HONC+ HONC+ NoData InChI=1S/CHNO/c1-2-3/h3H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSCN HSCN 463-56-9 InChI=1S/CHNS/c2-1-3/h3H 155 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSCN+ HSCN+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSiO2+ HSiO2+ NoData InChI=1S/HO2Si/c1-3-2/h3H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSO2+ HSO2+ NoData InChI=1S/O2S/c1-3-2/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C2S+ H2C2S+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
l-C3H2 H2C3 60731-10-4 InChI=1S/C3H2/c1-3-2/h1H2 651.03 298 3387 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of C3H + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
l-C3H2+ H2C3+ 85398-75-0 InChI=1S/C3H2/c1-3-2/h1H2/q+1 1411 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CCS H2CCS 18282-77-4 InChI=1S/C2H2S/c1-2-3/h1H2 196 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CNO+ H2CNO+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CNS+ H2CNS+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CSH+ H2CSH+ 20828-73-3 InChI=1S/CH3S/c1-2/h1H3/q+1 245±0.5 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2NCO+ H2NCO+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2NCS+ H2NCS+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2OCN+ H2OCN+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2SCN+ H2SCN+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2COH+ H3CO+ 17691-31-5 InChI=1S/CH3O/c1-2/h2H,1H2/q+1 716.4±0.24 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3S2+ H3S2+ NoData InChI=1S/H2S2/c1-2/h1-2H/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3SiO+ H3SiO+ NoData InChI=1S/H3OSi/c1-2/h2H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC2N2 HC2N2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCNC HC2NC NoData InChI=1S/C3HN/c1-3-4-2/h1H NoData NoData 4580 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HC3N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC3N HC3N 1070-71-9 InChI=1S/C3HN/c1-2-3-4/h1H 368.414±8 298 4580 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HCCN+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC3O HC3O NoData 1S/C3HO/c1-2-3-4/h1H 290 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC3O+ HC3O+ NoData InChI=1S/C3HO/c1-2-3-4/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC3S HC3S NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC3S+ HC3S+ NoData InChI=1S/C3HS/c1-2-3-4/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCNCC HCNC2 NoData InChI=1S/C3HN/c1-3-4-2/h2H NoData NoData 4580 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HC3N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HCNOH+ HCNOH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCNSH+ HCNSH+ KJGUCJCRKUJYAI-UHFFFAOYSA-O InChI=1S/CHNS/c1-2-3/h1H/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCOCO HCOCO NoData NoData NoData NoData 2050 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNCCC HNC3 NoData InChI=1S/C3HN/c1-2-3-4/h4H NoData NoData 4580 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HC3N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNCHS HNCHS NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNCOH+ HNCOH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNCSH HNCSH NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HNCSH+ HNCSH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSCHN HSCHN NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C3N H2C3N NoData NoData 442.855±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C3O H2C3O 61244-93-7 NoData 122 0 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C3O+ H2C3O+ 87612-93-9 InChI=1S/C3H2O/c1-2-3-4/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C3S H2C3S NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C3S+ H2C3S+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
l-C3H3+ H3C3+ 21540-27-2 InChI=1S/C3H3/c1-3-2/h1H,2H2/q+1 1198.416±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC2NCH+ HC2NCH+ 150767-63-8 InChI=1S/C3H2N/c1-3-4-2/h1-2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC4N HC4N NoData InChI=1S/C4HN/c1-2-3-4-5/h1H NoData NoData 5380 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC4N+ HC4N+ NoData InChI=1S/C4HN/c1-2-3-4-5/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC4O+ HC4O+ NoData InChI=1S/C4HO/c1-2-3-4-5/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC4S+ HC4S+ NoData InChI=1S/C4HS/c1-2-3-4-5/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCCHS HCCCHS NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCOCHO HCOCHO NoData NoData NoData NoData 2050 0 0 0.00E+0 1 Estimation Bibliography Ruaud,M.etal.;2015;MonthlyNoticesofTheRoyalAstronomicalSociety;447,4004-4017 H2O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HNCHSH HNCHSH NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C4N+ H2C4N+ NoData InChI=1S/C4H2N/c1-2-3-4-5/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
C2H3CO+ H3C3O+ NoData InChI=1S/C3H3O/c1-2-3-4/h3H,1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-C3H2OH+ H3C3O+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCCHOH+ H3C3O+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC5N HC5N 59866-32-9 InChI=1S/C5HN/c1-2-3-4-5-6/h1H NoData NoData 6180 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HC3N+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC5O+ HC5O+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCCHSH+ HCCCHSH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H3C4N+ H3C4N+ NoData InChI=1S/C4H3N/c1-2-3-4-5/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC6N HC6N NoData InChI=1S/C6HN/c1-2-3-4-5-6-7/h1H NoData NoData 7780 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC6N+ HC6N+ 129066-54-2 InChI=1S/C6HN/c1-2-3-4-5-6-7/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCOOCH3 HCOOCH3 107-31-3 InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3 -357.796±0.6 298 6295 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HCOOH+CH3-H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
H2C6N+ H2C6N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H5C2O2+ H5C2O2+ NoData InChI=1S/C6H3/c1-3-5-6-4-2/h1H,2H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC7N HC7N NoData InChI=1S/C7HN/c1-2-3-4-5-6-7-8/h1H NoData NoData 7780 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HC5N+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC7O+ HC7O+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC8N HC8N NoData InChI=1S/C8HN/c1-2-3-4-5-6-7-8-9/h1H NoData NoData 9380 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC8N+ HC8N+ NoData InChI=1S/C8HN/c1-2-3-4-5-6-7-8-9/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C8N+ H2C8N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC9N HC9N 67483-72-1 InChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H NoData NoData 9380 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of HC7N+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HC9O+ HC9O+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HC10N+ HC10N+ NoData InChI=1S/C10HN/c1-2-3-4-5-6-7-8-9-10-11/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2C10N+ H2C10N+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Mg Mg 7439-95-4 InChI=1S/Mg 147.1±0.8 298 5300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Mg+ Mg+ 14581-92-1 InChI=1S/Mg/q+1 891.047±1.3 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
MgH MgH 14332-53-7 InChI=1S/Mg.H 229.786±6 298 5750 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Mg + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
MgH2 MgH2 NoData InChI=1S/Mg.2H NoData NoData 6200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of MgH + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
N N 17778-88-0 InChI=1S/N 472.68±0.024 298 720±216 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
N N 17778-88-0 InChI=1S/N 472.68±0.024 298 800 0 0 0.00E+0 1 Estimation Bibliography Tielens,A.G.G.M.etal.;1982;AstronomyandAstrophysics;114,245-260 H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
N(2D) N NoData InChI=1S/N NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N+ N+ 14158-23-7 InChI=1S/N/q+1 1881.903±0.024 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Na Na 7440-23-5 InChI=1S/Na 107.5±0.7 298 11800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Na+ Na+ 17341-25-2 InChI=1S/Na/q+1 609.34 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Ne Ne NoData InChI=1S/Ne NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N2 N2 7727-37-9 InChI=1S/N2/c1-2 0 298 1100±330 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
N2 N2 7727-37-9 InChI=1S/N2/c1-2 0 298 1000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Herma Cuppen's suggestion The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
N2+ N2+ 13966-04-6 InChI=1S/N2/c1-2/q+1 1509.509±0.00055 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NaH NaH 7646-69-7 InChI=1S/Na.H 124.26±19.2 298 12250 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Na + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
ND ND 15123-00-9 Inchi=1S/HN/h1H/i1D 375.31 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH NH 13774-92-0 InChI=1S/HN/h1H 358.792±0.17 298 2600±780 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
NH NH 13774-92-0 InChI=1S/HN/h1H 358.792±0.17 298 2378 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH+ NH+ NoData InChI=1S/HN/h1H/q+1 1665.795±0.25 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NO NO 10102-43-9 InChI=1S/NO/c1-2 91.271±0.064 298 1600±480 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
NO NO 10102-43-9 InChI=1S/NO/c1-2 91.271±0.064 298 1600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of N + O. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NO+ NO+ 14452-93-8 InChI=1S/NO/c1-2/q+1 990.807±0.064 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NS NS 12033-56-6 InChI=1S/NS/c1-2 279.45±2.1 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of N+S The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NS+ NS+ NoData InChI=1S/NS/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N2H N2H 36882-13-0 InChI=1S/N2/c1-2 249.484±0.74 298 1450 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of N2+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
N2H+ N2H+ 12357-66-3 InChI=1S/HN2/c1-2/h1H/q+1 1045.33±0.74 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N2O N2O 10024-97-2 InChI=1S/N2O/c1-2-3 81.6±0.1 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of N+N+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NaH2+ NaH2+ NoData InChI= NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NaOH NaOH 1310-73-2 InChI= -191±8 298 14650 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Na+OH The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NCO+ NCO+ 17247-99-3 InChI=1S/NO2/c2-1-3/q+1 1268.52±0.58 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NCS+ NCS+ NoData InChI=1S/CNS/c2-1-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2 NH2 13770-40-6 InChI=1S/H2N/h1H2 186.2±0.15 298 3200±960 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
NH2 NH2 13770-40-6 InChI=1S/H2N/h1H2 186.2±0.15 298 3956 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH2- NH2- NoData NoData 105.91±0.34 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2+ NH2+ 15194-15-7 InChI=1S/H2N/h1H2/q+1 1269.973±0.169 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NHD NHD NoData InChI=1S/H2N/h1H2/i1D NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NO2 NO2 10102-44-0 InChI=1S/NO2/c2-1-3 34.193±0.07 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of N+O+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NO2+ NO2+ 14522-82-8 InChI=1S/NO2/c2-1-3/q+1 964.409±0.2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N2H2 N2H2 NoData InChI=1S/H2N2/c1-2/h1-2H 200.219±0.54 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NaH2O+ NaH2O+ NoData InChI= NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NCSH NCSH NoData InChI=1S/CHNS/c2-1-3/h3H NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NCSH+ NCSH+ NoData InChI=1S/CHNS/c2-1-3/h3H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH3 NH3 7664-41-7 InChI=1S/H3N/h1H3 -45.567±0.03 298 5500±1650 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
NH3 NH3 7664-41-7 InChI=1S/H3N/h1H3 -45.567±0.03 298 5534 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH3+ NH3+ 19496-55-0 InChI=1S/H3N/h1H3/q+1 943.294±0.03 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NO3 NO3 12033-49-7 InChI=1S/NO3/c2-1(3)4 74.628±0.19 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N2H3 N2H3 13598-46-4 NoData 224.856±0.91 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CN NH2CN 420-04-2 InChI=1S/CH2N2/c2-1-3/h2H2 134.553±8 298 5556 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of NH2+CN The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH2CS NH2CS NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH4+ NH4+ 14798-03-9 InChI=1S/H3N/h1H3/p+1 637.9±0.21 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
N2H4 N2H4 302-01-2 InChI=1S/H4N2/c1-2/h1-2H2 95.18±0.2 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NC4N NC4N 1071-98-3 InChI=1S/C4N2/c5-3-1-2-4-6 533.46±0.8 298 4200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH2CDO NH2CDO NoData InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1D NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CHO NH2CHO 75-12-7 InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) -189.598±8 298 6300±1890 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
NH2CHO NH2CHO 75-12-7 InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) -189.598±8 298 5556 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of NH2+HCO The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH2CHS+ NH2CHS+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CNH+ NH2CNH+ NoData InChI=1S/CH2N2/c2-1-3/h2H2/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CHS NH3CS NoData InChI=1S/CH3NS/c2-1-3/h1H,(H2,2,3) NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
cis-NHDCHO NHDCHO NoData InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i/hD NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
trans-NHDCHO NHDCHO NoData InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i/hD NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CH2O+ NH2CH2O+ NoData InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CH2S NH2CH2S NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CHSH NH2CHSH NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CHSH+ NH2CHSH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH3CHS+ NH3CHS+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NC6N NC6N 16419-78-6 InChI=1S/C6N2/c7-5-3-1-2-4-6-8 NoData NoData 5800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
NH2CH2SH NH2CH2SH NoData InChI=1S/CH5NS/c2-1-3/h3H,1-2H2 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH2CH2SH+ NH2CH2SH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NH3CH2SH+ NH3CH2SH+ NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
NC8N NC8N 134830-04-9 InChI=1S/C8N2/c9-7-5-3-1-2-4-6-8-10 NoData NoData 7400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
O O 17778-80-2 InChI=1S/O 249.175±0.002 298 1660±60 0 0 1.00E+12 0 Measurements Bibliography He,J.etal.;2015;AstrophysicalJournal;801,120 H2O/Amorphous/Porous
O O 17778-80-2 InChI=1S/O 249.175±0.002 298 1850±90 0 0 1.00E+12 0 Measurements Bibliography He,J.etal.;2015;AstrophysicalJournal;801,120 SiOx/Silicate
O O 17778-80-2 InChI=1S/O 249.175±0.002 298 1600±480 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
O(1D) O NoData InChI=1S/O 249.229±0.002 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
O- O- 14337-01-0 InChI=1S/O/q-1 101.846±0.002 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
O+ O+ 14581-93-2 InChI=1S/O/q+1 1568.787±0.002 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
O2 O2 7782-44-7 InChI=1S/O2/c1-2 0 298 1200±360 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
O2 O2 7782-44-7 InChI=1S/O2/c1-2 0 298 1000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Herma Cuppen's suggestion The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
O2+ O2+ 12185-07-8 InChI=1S/O2/c1-2/q+1 1171.828±0.009 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
OH OH 3352-57-6 InChI=1S/HO/h1H 37.3±0.3 298 4600±1380 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
OH OH 3352-57-6 InChI=1S/HO/h1H 37.3±0.3 298 2850 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
OH- OH- 14280-30-9 InChI=1S/H2O/h1H2/p-1 -145.256±0.036 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
OH+ OH+ 12259-29-9 InChI=1S/HO/h1H/q+1 1299.213±0.042 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
O2H O2H 3170-83-0 InChI=1S/HO2/c1-2/h1H 12.296±0.25 298 5000±1500 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
O2H O2H 3170-83-0 InChI=1S/HO2/c1-2/h1H 12.296±0.25 298 3650 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of O + OH. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
HO2+ O2H+ 71722-67-3 InChI=1S/HO2/c1-2/h1H/q+1 1113.774±0.11 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
O3 O3 10028-15-6 InChI=1S/O3/c1-3-2 141.8±0.04 298 2100±630 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
O3 O3 10028-15-6 InChI=1S/O3/c1-3-2 141.8±0.04 298 1800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of O2 + O. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
OClO OClO 10049-04-4 InChI=1S/ClO2/c2-1-3 99.035±6.3 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
OCN OCN 22400-26-6 InChI=1S/CNO/c2-1-3 128.04±0.39 298 2400 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of O+C+N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
OCS OCS 463-58-1 InChI=1S/COS/c2-1-3 -141.7±2 298 2400±720 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
OCS OCS 463-58-1 InChI=1S/COS/c2-1-3 -141.7±2 298 2888 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
OCS+ OCS+ NoData InChI=1S/COS/c2-1-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
P P 7723-14-0 InChI=1S/P 316.5±1 298 1100 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
P+ P+ 16427-80-8 InChI=1S/P/q+1 1335.46 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Photon Photon NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PH PH 13967-14-1 InChI=1S/HP/h1H 230.752±33.5 298 1550 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of P+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
PH+ PH+ NoData InChI=1S/HP/h1H/q+1 1224.9±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PN PN 17739-47-8 InChI=1S/NP/c1-2 171.487±15 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of P+N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
PN+ PN+ NoData InChI=1S/NP/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PO PO 14452-66-5 InChI=1S/OP/c1-2 -27.344±3 298 1900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of P+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
PO+ PO+ NoData InChI=1S/OP/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PH2 PH2 13765-43-0 InChI=1S/H2P/h1H2 135.474±8 298 2000 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of P+H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
PH2+ PH2+ 12339-26-3 InChI=1S/H2P/h1H2/q+1 1082.957±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC2H+ PC2H+ NoData InChI=1S/C2HP/c1-2-3/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PCH2+ PCH2+ NoData InChI=1S/CH2P/c1-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PH3+ PH3+ 97419-07-3 InChI=1S/H3P/h1H3/q+1 965.537±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PNH2+ PNH2+ NoData InChI=1S/H2NP/c1-2/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC2H2+ PC2H2+ NoData InChI=1S/C2H2P/c1-2-3/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC3H+ PC3H+ NoData InChI=1S/C3HP/c1-2-3-4/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PCH3+ PCH3+ 89387-22-4 InChI=1S/CH3P/c1-2/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PNH3+ PNH3+ NoData InChI=1S/H3NP/c1-2/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC2H3+ PC2H3+ 96607-20-4 InChI=1S/C2H3P/c1-2-3/h2H,1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC4H+ PC4H+ NoData InChI=1S/C4HP/c1-2-3-4-5/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PCH4+ PCH4+ NoData InChI=1S/CH4P/c1-2/h2H,1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC2H4+ PC2H4+ NoData InChI=1S/C2H4P/c1-2-3/h2H,1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
PC4H2+ PC4H2+ NoData InChI=1S/C4H2P/c1-2-3-4-5/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
S S 7704-34-9 InChI=1S/S 277.17±0.25 298 2600±780 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
S S 7704-34-9 InChI=1S/S 277.17±0.25 298 1100 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
S- S- 14337-03-2 InChI=1S/S/q-1 70.369 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
S+ S+ 14701-12-3 InChI=1S/S/q+1 1282.496 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
Si Si 7440-21-3 InChI=1S/Si 450±0.84 298 11600±3480 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
Si Si 7440-21-3 InChI=1S/Si 450±0.84 298 2700 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
Si+ Si+ 14067-07-3 InChI=1S/Si/q+1 1242.5 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
S2 S2 23550-45-0 InChI=1S/S2/c1-2 128.6±0.3 298 2200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of S+S The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
S2+ S2+ 12597-02-3 InChI=1S/S2/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SCl SCl 14989-32-3 InChI=1S/ClS/c1-2 156.47±16.7 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiC SiC 409-21-2 InChI=1S/CSi/c1-2 734.946±20 298 3500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC+ SiC+ NoData InChI=1S/CSi/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiF+ SiF+ NoData InChI=1S/FSi/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiH SiH 13774-94-2 InChI=1S/HSi/h1H 368.64±8 298 13000±3900 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
SiH SiH 13774-94-2 InChI=1S/HSi/h1H 368.64±8 298 3150 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiH+ SiH+ 31241-66-4 InChI=1S/HSi/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiN SiN 12033-60-2 InChI=1S/NSi/c1-2 403.67±36 298 3500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiN+ SiN+ NoData InChI=1S/NSi/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiO SiO 10097-28-6 InChI=1S/OSi/c1-2 -100.42±8.4 298 3500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiO+ SiO+ NoData InChI=1S/OSi/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiS SiS 12504-41-5 InChI=1S/SSi/c1-2 106±12.6 298 3800 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+S The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiS+ SiS+ NoData InChI=1S/SSi/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SO SO 13827-32-2 InChI=1S/OS/c1-2 4.76±0.18 298 2800±840 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
SO SO 13827-32-2 InChI=1S/OS/c1-2 4.76±0.18 298 2600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of SO2 - 800K. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SO+ SO+ 54724-05-9 InChI=1S/OS/c1-2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HS2+ S2H+ NoData InChI=1S/HS2/c1-2/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
c-SiC2 SiC2 12071-27-1 InChI=1S/C2Si/c1-2-3-1 631.361±12 298 4300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC2+ SiC2+ NoData InChI=1S/C2Si/c1-2-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiH2 SiH2 13825-90-6 InChI=1S/H2Si/h1H2 273.33±5 298 3600 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of SiH + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiH2+ SiH2+ 28149-31-7 InChI=1S/H2Si/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiNC SiNC NoData InChI=1S/CNSi/c1-2-3 NoData NoData 4300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+N The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiNC+ SiNC+ NoData InChI=1S/CNSi/c1-2-3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiO2 SiO2 14808-60-7 InChI=1S/O2Si/c1-3-2 -322.07±10 298 4300 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+O+O The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SO2 SO2 7446-09-5 InChI=1S/O2S/c1-3-2 -296.81±0.21 298 3400±1020 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
SO2 SO2 7446-09-5 InChI=1S/O2S/c1-3-2 -296.81±0.21 298 3405 0 0 0.00E+0 1 Estimation Database:OSU H2O This value was deduced from Collings et al. (2004). This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SO2+ SO2+ 12439-77-9 InChI=1S/O2S/c1-3-2/q+1 914.506±8 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HCCSi SiC2H 116854-52-5 InChI=1S/C2HSi/c1-2-3/h1H NoData NoData 4750 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+C+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC2H+ SiC2H+ NoData InChI=1S/C2HSi/c1-2-3/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
l-SiC3 SiC3 NoData InChI=1S/C3Si/c1-2-3-4 NoData NoData 5100 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
l-SiC3+ SiC3+ NoData InChI=1S/C3Si/c1-2-3-4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiCH2 SiCH2 65632-07-7 InChI=1S/CH2Si/c1-2/h1H2 NoData NoData 3750 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+CH2 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiH3 SiH3 13765-44-1 InChI=1S/H3Si/h1H3 198.45±4.2 298 4050 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of SiH2 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiH3+ SiH3+ 41753-67-7 InChI=1S/H3Si/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiNCH+ SiNCH+ NoData InChI=1S/CHNSi/c1-2-3/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
HSiNH+ SiNH2+ NoData InChI=1S/H2NSi/c1-2/h1-2H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SO3 SO3 7446-11-9 InChI=1S/O3S/c1-4(2)3 -395.9±0.71 298 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
CH3S SCH3 7175-75-9 InChI=1S/CH4S/c1-2/h2H,1H3/p-1 115 0 4200±1260 0 0 0.00E+0 1 Calculations Bibliography Wakelam,V.etal.;2017;ArXive-prints;, H2O To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
c-HCCHSi SiC2H2 100899-98-7 InChI=1S/C2H2Si/c1-2-3-1/h1-2H NoData NoData 5200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+C+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC2H2+ SiC2H2+ NoData InChI=1S/C2H2Si/c1-2-3/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiC3H SiC3H NoData InChI=1S/C3HSi/c1-2-3-4/h1H NoData NoData 5550 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+C+C+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC3H+ SiC3H+ NoData InChI=1S/C3HSi/c1-2-3-4/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiC4 SiC4 NoData InChI=1S/C4Si/c1-2-3-4-5 NoData NoData 5900 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+C+C+C+C The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC4+ SiC4+ NoData InChI=1S/C4Si/c1-2-3-4-5/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiCH3 SiCH3 12538-78-2 InChI=1S/CH3Si/c1-2/h1H3 NoData NoData 4200 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of Si+CH3 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiCH3+ SiCH3+ NoData InChI=1S/CH3Si/c1-2/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiH4 SiH4 7803-62-5 InChI=1S/H4Si/h1H4 34.7±8.2 298 4500 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. Energy of SiH3 + H. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiH4+ SiH4+ 34826-51-2 InChI=1S/H4Si/h1H4/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
H2CSiCH SiC2H3 NoData InChI=1S/C2H3Si/c1-2-3/h1H,3H2 NoData NoData 4675 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC2H3+ SiC2H3+ NoData InChI=1S/C2H3Si/c1-2-3/h1H3/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiC3H2+ SiC3H2+ NoData InChI=1S/C3H2Si/c1-2-3-4/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiC4H SiC4H NoData InChI=1S/C4HSi/c1-2-3-4-5/h1H NoData NoData 6437 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC4H+ SiC4H+ NoData InChI=1S/C4HSi/c1-2-3-4-5/h1H/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiCH4+ SiCH4+ 78167-42-7 InChI=1S/C4H2P/c1-2-3-4-5/h1H2/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiH5+ SiH5+ NoData InChI=1S/H5Si/h1H5/q+1 NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData NoData
SiC2CH3 SiC3H3 NoData InChI=1S/C3H3Si/c1-2-3-4/h1H3 NoData NoData 5475 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC6H SiC6H NoData InChI=1S/C6HSi/c1-2-3-4-5-6-7/h1H NoData NoData 8037 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC3H5 SiC3H5 NoData InChI=1S/C3H5Si/c1-2-3-4/h2-3H,1H3/b3-2+ NoData NoData 7437 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).
SiC8H SiC8H NoData InChI=1S/C8HSi/c1-2-3-4-5-6-7-8-9/h1H NoData NoData 9637 0 0 0.00E+0 1 Estimation Database:OSU H2O This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).