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Author(s):   Nguyen, T.L.;Peeters, J.;Vereecken, L.
Title:   Quantum chemical and statistical rate study of the reaction of O(3P) with allene: O-addition and H-abstraction channels
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   12166 - 12176
Year:   2006
Reference type:   Journal article
Squib:   2006NGU/PEE12166-12176

Reaction:   CH2=C=CH2 + C2H4 + CO
Reaction order:   2
Temperature:   300 - 2000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   Reaction potential energy surface was studied using quantum chemistry. Rate constants of individual product channels were calculated as functions of pressure and temperature using transition state theory, RRKM, and master equation analysis. However, no expressions for the temperature dependences of the rate constants of individual product channels are reported in the article; data at 1 atm pressure are given in a tabular format.

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