A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site

Journal of Biological Inorganic Chemistry

Volumn 9, Issue 7, 2004, Pages 873-884

  Bruschi, Maurizio ^a   De Gioia, Luca ^a   Zampella, Giuseppe ^a   Reiher, Markus ^b   Fantucci, Piercarlo ^a   Stein, Matthias ^c  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b UNIVERSITY OF BONN   (Germany)

^c Anterio Research GmbH   (Germany)

Author keywords

Density functional theory; Nickel sulfur coordination compounds; NiFe hydrogenases

Indexed keywords

HYDROGENASE; IRON DERIVATIVE; NICKEL; SULFUR DERIVATIVE;

ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY; MATHEMATICAL ANALYSIS; OXIDATION REDUCTION REACTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; ROOM TEMPERATURE; X RAY DIFFRACTION;

EID: 8644223114     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-004-0588-2     Document Type: Article

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