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Author(s):   Zhong, G.; Chan, B.; Radom, L.
Title:   Hydrogenation of simple aromatic molecules: A computational study of the mechanism
Journal:   J. Am. Chem. Soc.
Volume:   129
Page(s):   924 - 933
Year:   2007
Reference type:   Journal article
Squib:   2007ZHO/CHA924-933

Reaction:   Benzene + H2 + H21,3-Cyclohexadiene + H2
Reaction order:   3
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry. No rate constants were determined.

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