Quantum chemical modeling of CO oxidation by the active site of molybdenum CO dehydrogenase

Journal of Computational Chemistry

Volumn 26, Issue 9, 2005, Pages 888-898

  Siegbahn, Per E M ^a   Shestakov, Alexander F ^b  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

CO hydrogenase; Copper; DFT; Mechanism; Molybdenum

Indexed keywords

COMPLEXATION; COPPER; ENZYMES; MOLYBDENUM; ORGANOMETALLICS; OXIDATION; PROBABILITY DENSITY FUNCTION;

CO HYDROGENASE; DENSITY FUNCTIONAL THEORY (DFT); ELECTRON DONORS; MECHANISM;

CARBON MONOXIDE;

ALDEHYDE DEHYDROGENASE; CARBON DIOXIDE; CARBON MONOXIDE; CARBON MONOXIDE DEHYDROGENASE; COPPER; METALLOPROTEIN; MOLYBDENUM; MULTIENZYME COMPLEX;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METABOLISM; OXIDATION REDUCTION REACTION; X RAY CRYSTALLOGRAPHY;

ALDEHYDE OXIDOREDUCTASES; CARBON DIOXIDE; CARBON MONOXIDE; CATALYSIS; COPPER; CRYSTALLOGRAPHY, X-RAY; METALLOPROTEINS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; MOLYBDENUM; MULTIENZYME COMPLEXES; OXIDATION-REDUCTION;

EID: 20344378458     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20230     Document Type: Article

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