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Author(s):   Li, Y.X.;Brenner, D.W.;Dong, X.;Sun, C.C.
Title:   Ab initio study of the role of entropy in the kinetics of acetylene production in filament-assisted diamond growth environments
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   132 - 140
Year:   2006
Reference type:   Journal article
Squib:   2006LI/BRE132-140

Reaction:   C2H3C2H2 +
Reaction order:   2
Temperature:   250 - 3000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
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, the temperature dependence of the rate constant is presented in a graphic format.

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