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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:
CH3OH + Benzene + H2 → CH3OH + 1,4-Cyclohexadiene
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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