A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases

Inorganic Chemistry

Volumn 46, Issue 15, 2007, Pages 5911-5921

  Greco, Claudio ^a,b   Bruschi, Maurizio ^a   De Gioia, Luca ^a   Ryde, Ulf ^b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; HYDROGENASE; IRON; LIGAND; METAL; PROTON; WATER;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DESULFOVIBRIO DESULFURICANS; ENZYME ACTIVE SITE; ENZYMOLOGY; INORGANIC CHEMISTRY; METHODOLOGY; QUANTUM THEORY; THERMODYNAMICS;

AMINES; CATALYSIS; CATALYTIC DOMAIN; CHEMISTRY, INORGANIC; DESULFOVIBRIO DESULFURICANS; HYDROGENASE; IRON; LIGANDS; METALS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTONS; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 34547651339     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic062320a     Document Type: Article

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