Chemical Activity of the Nitrogenase FeMo Cofactor with a Central Nitrogen Ligand: Density Functional Study

Journal of the American Chemical Society

Volumn 126, Issue 12, 2004, Pages 3920-3927

  Hinnemann, Berit ^a   Nørskov, Jens K ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

IRON COMPOUNDS; NITROGEN; PROBABILITY DENSITY FUNCTION;

CHEMICAL REACTIVITY; DENSITY FUNCTIONAL CALCULATIONS;

REACTION KINETICS;

IRON; LIGAND; MOLYBDENUM; NITROGEN; NITROGENASE; NITROGENASE IRON MOLYBDENUM COFACTOR; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CHEMOREACTIVITY; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; MOLECULAR INTERACTION; REDUCTION;

AMMONIA; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLYBDOFERREDOXIN; NITROGEN; THERMODYNAMICS;

EID: 1642351472     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja037792s     Document Type: Article

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