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Volumn 8, Issue 23, 2002, Pages 5332-5339

A quantum-chemical study of dinitrogen reduction at mononuclear iron-sulfur complexes wiith hints to the mechanism of nitrogenase

(2) Reiher, Markus a Hess, Bernd Artur a

a UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

Author keywords

Density functional calculations; Iron; Nitrogen fixation; S ligands

Indexed keywords

IRON; ISOMERS; NITROGEN COMPOUNDS; SULFUR; THERMODYNAMIC STABILITY;

BIOLOGICAL MECHANISM;

REDUCTION;

AMMONIA; HYDRAZINE; IRON COMPLEX; IRON SULFUR PROTEIN; IRON SULFUR PROTEINS; LIGAND; NITROGEN; NITROGEN DERIVATIVE; NITROGENASE; SULFUR DERIVATIVE; TRANSITION ELEMENT;

ARTICLE; CATALYSIS; CHEMICAL BINDING; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; ENZYME MECHANISM; ISOMER; METABOLISM; MODEL; MOLECULAR STABILITY; OXIDATION REDUCTION REACTION; QUANTUM CHEMISTRY; QUANTUM THEORY; REDUCTION; THERMODYNAMICS;

CATALYSIS; COMPUTER SIMULATION; IRON-SULFUR PROTEINS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; NITROGEN; NITROGENASE; OXIDATION-REDUCTION; QUANTUM THEORY; THERMODYNAMICS;

EID: 0037011538 PISSN: 09476539 EISSN: None Source Type: Journal
DOI: 10.1002/1521-3765(20021202)8:23<5332::AID-CHEM5332>3.0.CO;2-I Document Type: Article

Times cited : (33)

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