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Author(s):   Altarawneh, M.;Dlugogorski, B.Z.;Kennedy, E.M.;Mackie, J.C.
Title:   Quantum chemical study of low temperature oxidation mechanism of dibenzofuran
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   13560 - 13567
Year:   2006
Reference type:   Journal article
Squib:   2006ALT/DLU13560-13567

Reaction:   1-dibenzofuranylperoxy → C11H7O + CO2
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry, reaction paths were analyzed, and rate constants were calculated using transition state theory. However, no Arrhenius expression is given for the k(T) dependence and the values of rate constant are not presented. Instead, rate constant values are used to qualitatively analyze the main reactive pathways.

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