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Author(s):   Ge, Y.B.; Gordon, M.S.; Battaglia, F.; Fox, R.O.
Title:   Theoretical Study of the Pyrolysis of Methyltrichlorosilane in the Gas Phase. 3. Reaction Rate Constant Calculations
Journal:   J. Phys. Chem. A
Volume:   114
Page(s):   2384 - 2392
Year:   2010
Reference type:   Journal article
Squib:   2010GE/GOR2384-2392

Reaction:   CH4 + SiCl3·CH3 + SiHCl3
Reaction order:   2
Temperature:   1000 - 2000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory. 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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