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Author(s):   Kilic, M.; Kocturk, G.; San, N.; Cinar, Z.
Title:   A model for prediction of product distributions for the reactions of phenol derivatives with hydroxyl radicals
Journal:   Chemosphere
Volume:   69
Page(s):   1396 - 1408
Year:   2007
Reference type:   Journal article
Squib:   2007KIL/KOC1396-1408

Reaction:   Phenol + ·OHC6H5O + H2O
Reaction order:   2
Temperature:   300 K
Rate expression:   6.79x10-26 [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 constant was calculated using transition state theory.

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