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Author(s):   Hermans, I.;Jacobs, P.A.;Peeters, J.
Title:   To the core of autocatalysis in cyclohexane autoxidation
Journal:   Chem. Euro. J.
Volume:   12
Page(s):   4230 - 4240
Year:   2006
Reference type:   Journal article
Squib:   2006HER/JAC4230-4240

Reaction:   Cyclohexanol + Cyclohexyl hydroperoxide → cyc-[CH(O·)CH2CH2CH2CH2CH2] + C6H11O + H2O
Reaction order:   2
Temperature:   418 - 273 K
Rate expression:   9.96x10-25 [cm3/molecule s]
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

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