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Author(s):   Tarrazo-Antelo, T.;Martinez-Nunez, E.;Vazquez, S.A.
Title:   Ab initio and RRKM study of the elimination of HF and HCl from chlorofluoroethylene
Journal:   Chem. Phys. Lett.
Volume:   435
Page(s):   176 - 181
Year:   2007
Reference type:   Journal article
Squib:   2007TAR/MAR176-181

Reaction:   CHCl=CHFHCCCl + HF
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   No reaction rates given. Ab initio study, using density functional theory (DFT) B3LYP//6-31G+(d,p) energies. CHClCHF -> HCCCl + HF Ea = 79.4kcal/mol DrH = 37.18kcal/mol No uncertainties reported.

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