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Author(s):   Gannon, K.L.; Blitz, M.A.; Liang, C.H.; Pilling, M.J.; Seakins, P.W.; Glowacki, D.R.
Title:   Temperature Dependent Kinetics (195-798 K) and H Atom Yields (298-498 K) from Reactions of (CH2)-C1 with Acetylene, Ethene, and Propene
Journal:   J. Phys. Chem. A
Volume:   114
Page(s):   9413 - 9424
Year:   2010
Reference type:   Journal article
Squib:   2010GAN/BLI9413-9424

Reaction:   CH_2(aA_1) + C2H2CH2=C=CH2
Reaction order:   2
Reference reaction:   CH_2(aA_1) + C2H2 → Products
Reference reaction order:   2
Temperature:   300 - 1400 K
Pressure:  1.33E-3 - 2666 bar
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure dependent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated for wide ranges of temperatures and pressures using transition state theory, RRKM, Inverse Laplace Transform, and master equation. Branching fractions for individual temperatures and pressures are presented in graphs and in tabular format in the supporting information to the article.

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