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Author(s):   Espinosa-Garcia, J.; Rangel, C.
Title:   Thermochemistry data from kinetics results: A test of quality of the potential energy surface
Journal:   React. Kinet. Catal. Lett.
Volume:   96
Page(s):   225 - 231
Year:   2009
Reference type:   Journal article
Squib:   2009ESP/RAN225-231

Reaction:   CH3Cl + ·CH3 + HCl
Reaction order:   2
Temperature:   300 - 3000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Rate constants were calculated using variational transition state theory with tunneling correction using a previously parameterized potential energy surface. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants for individual temperatures are presented in a graphical format.

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