Open AccessReaction Mechanism for the Conversion of γ-Valerolactone (GVL) over a Ru Catalyst: A First-Principles Study
Author(s) -
Reda Bababrik,
Bin Wang,
Daniel E. Resasco
Publication year - 2017
Publication title -
industrial and engineering chemistry research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.878
H-Index - 221
eISSN - 1520-5045
pISSN - 0888-5885
DOI - 10.1021/acs.iecr.7b00196
Subject(s) - dehydrogenation , chemistry , decarbonylation , catalysis , bond cleavage , reaction mechanism , ring (chemistry) , rate determining step , limiting , density functional theory , activation energy , activation barrier , medicinal chemistry , photochemistry , computational chemistry , organic chemistry , mechanical engineering , engineering
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