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Author(s):   Luzhkov, V.B.
Title:   Mechanisms of antioxidant activity: The DFT study of hydrogen abstraction from phenol and toluene by the hydroperoxyl radical
Journal:   Chem. Phys.
Volume:   314
Page(s):   211 - 217
Year:   2005
Reference type:   Journal article
Squib:   2005LUZ211-217

Reaction:   Toluene + HO2Benzyl + H2O2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and reaction mechanism was analyzed. No rate constant values were calculated.

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