Open AccessUnraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations
Author(s) -
Alessandra Gilda Ritacca,
Anna Rovaletti,
Giorgio Moro,
Ugo Cosentino,
Ulf Ryde,
Emilia Sicilia,
Claudio Greco
Publication year - 2022
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.2c01408
Subject(s) - carbon monoxide dehydrogenase , chemistry , nucleophile , catalysis , bimetallic strip , catalytic cycle , active site , carbon monoxide , reaction mechanism , combinatorial chemistry , photochemistry , computational chemistry , organic chemistry
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