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Author(s):   Tanaka, K.; Ando, M.; Sakamoto, Y.; Tonokura, K.
Title:   Pressure dependence of phenylperoxy radical formation in the reaction of phenyl radical with molecular oxygen
Journal:   Int. J. Chem. Kinet.
Volume:   44
Page(s):   41 - 50
Year:   2012
Reference type:   Journal article
Squib:   2012TAN/AND41-50

Reaction:   Phenyl + O2 → 2-oxooxepine-3-yl radical
Reaction order:   2
Temperature:   296 K
Pressure:  1.33E-3 - 1.33 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 range of pressures using RRKM and master equation. Rate constants for individual pressures are presented in a graphical format.

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