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Author(s):   Krishtal, S.P.; Mebel, A.M.; Kaiser, R.I.
Title:   A Theoretical Study of the Reaction Mechanism and Product Branching Ratios of C2H + C2H4 and Related Reactions on the C4H5 Potential Energy Surface
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   11112 - 11128
Year:   2009
Reference type:   Journal article
Squib:   2009KRI/MEB11112-11128

Reaction:   C2H2 + C2H3CH2=C=C=CH2 +
Reaction order:   2
Reference reaction:   C2H2 + C2H3 → Products
Reference reaction order:   2
Rate expression:   1.98x10-6
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. Branching fractions for individual product channels were calculated for the collision energy of 11.1 kcal/mol (non-thermal condictions). These branching fractions were shown to be independent of collision energy between 6.1 and 11.1 kcal/mol.

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