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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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