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Volumn 35, Issue 7, 2014, Pages 540-552

Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clusters

(2) Harris, Travis V a,b Szilagyi, Robert K a

a MONTANA STATE UNIVERSITY (United States)

Author keywords

ab initio WFN calculations; density functional theory; Fe S bond covalency; Fe S metalloproteins; iron sulfur clusters; population analysis methods; S donation; X ray absorption spectroscopy

Indexed keywords

IRON; IRON SULFUR PROTEIN; LIGAND; SULFUR; THIOL DERIVATIVE;

AB INITIO WFN CALCULATIONS; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DENSITY FUNCTIONAL THEORY; ELECTRON; FE S BOND COVALENCY; FE S METALLOPROTEINS; IRON-SULFUR CLUSTERS; POPULATION ANALYSIS METHODS; S DONATION; X RAY ABSORPTION SPECTROSCOPY;

AB INITIO WFN CALCULATIONS; DENSITY FUNCTIONAL THEORY; FE S BOND COVALENCY; FE S METALLOPROTEINS; IRON-SULFUR CLUSTERS; POPULATION ANALYSIS METHODS; S DONATION; X-RAY ABSORPTION SPECTROSCOPY;

ELECTRONS; IRON; IRON-SULFUR PROTEINS; LIGANDS; MODELS, MOLECULAR; SULFHYDRYL COMPOUNDS; SULFUR; X-RAY ABSORPTION SPECTROSCOPY;

EID: 84894226244 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23518 Document Type: Article

Times cited : (25)

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