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Accessibility information
Author(s):   Ribeiro, J.M.; Mebel, A.M.
Title:   Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study
Journal:   Phys. Chem. Chem. Phys.
Volume:   19
Page(s):   14543 - 14554
Year:   2017
Reference type:   Journal article
Squib:   2017RIB/MEB14543-14554

Reaction:   CH2=C=CH2 + ·CHC2H2 + C2H3
Reaction order:   2
Reference reaction:   CH2=C=CH2 + ·CH → Products
Reference reaction order:   2
Temperature:   300 K
Pressure:  5.33E-3 bar
Rate expression:   3.0x10-2
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 branching fractions were calculated using RRKM and master equation.

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