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Author(s):   Fernandez-Ramos, A.; Martinez-Nunez, E.; Smedarchina, Z.; Vazquez, S.A.
Title:   Rate Constants and Isotope Effects for the CH3 + H2 -> CH4 + H Reaction by an Approximate Semiclassical Initial-Value Representation Method
Journal:   Chem. Phys. Lett.
Volume:   341
Page(s):   351 - 357
Year:   2001
Reference type:   Journal article
Squib:   2001FER/MAR351-357

Reaction:   ·CH3 + HDCH4 + D
Reaction order:   2
Temperature:   500 - 1500 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   Reaction rate constants were calculated using variational transition state theory and the linearized semiclassical initial-value representation method. 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 tabular format.

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