Density functional theory investigation of the active site of [Fe]-hydrogenases: Effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe]Hsubcluster

Inorganic Chemistry

Volumn 42, Issue 15, 2003, Pages 4773-4781

  Bruschi, Maurizio ^a   Fantucci, Piercarlo ^a   De Gioia, Luca ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION COMPOUND; HYDROGEN; HYDROGENASE; HYDROXYL GROUP; IRON; IRON HYDROGENASE; LIGAND; METAL ION; METALLOPROTEIN; SULFUR; UNCLASSIFIED DRUG; WATER;

ARTICLE; ATOM; CALCULATION; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON; ENZYME ACTIVE SITE; EXPERIMENT; KINETICS; MOLECULAR STABILITY; OXIDATION REDUCTION STATE; REACTION ANALYSIS; SYNTHESIS; THEORY;

EID: 0037622847     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0262132     Document Type: Article

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