 |
Home ©NIST, 2023 Accessibility information |
Contact Us to Submit an Article
Other Databases
NIST Standard Reference Data Program
NDRL-NIST Solution Kinetics Database
NIST Computational Chemistry Comparison and Benchmark Database
The NIST Reference on Constants, Units, and Uncertainty
Administrative Links
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 + H2S → 1,3-Cyclohexadiene + H2S
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.
View full bibliographic record.