Quantum refinement of [FeFe] hydrogenase indicates a dithiomethylamine ligand

Journal of the American Chemical Society

Volumn 132, Issue 13, 2010, Pages 4512-4513

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

^a LUND UNIVERSITY   (Sweden)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

[FEFE]HYDROGENASES; ACTIVE SITE; BEST FIT; CHEMICAL STRUCTURE; CO MOLECULE; CRYSTALLOGRAPHIC DATA; DFT CALCULATION; DITHIOLATES; EXPERIMENTAL STUDIES; FE-IONS; FORCE FIELDS; QUANTUM REFINEMENT;

ATOMS; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; IRON COMPOUNDS; LIGANDS; SULFUR COMPOUNDS;

CRYSTAL ATOMIC STRUCTURE;

DITHIOMETHYLAMINE; IRON HYDROGENASE; LIGAND; METHYLAMINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CLOSTRIDIUM PASTEURIANUM; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; NONHUMAN; QUANTUM MECHANICS;

COMPUTER SIMULATION; HYDROGENASE; IRON-SULFUR PROTEINS; LIGANDS; METHYLAMINES; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; TOLUENE;

EID: 77950818400     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja909194f     Document Type: Article

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