Water Participation in Catalysis: An Atomistic Approach to Solvent Effects in the Catalytic Isomerization of Allylic Alcohols
Author(s) -
Franco Scalambra,
Nicole Holzmann,
Leonardo Bernasconi,
Silvia Imberti,
Antonio Romerosa
Publication year - 2018
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.8b00199
Subject(s) - isomerization , chemistry , allylic rearrangement , ruthenium , catalysis , molecule , molecular dynamics , reactivity (psychology) , aqueous solution , density functional theory , solvent , ab initio , computational chemistry , organic chemistry , medicine , alternative medicine , pathology
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