Density functional study of the electric hyperfine interactions and the redox-structural correlations in the cofactor of nitrogenase. Analysis of general trends in 57Fe isomer shifts

Inorganic Chemistry

Volumn 42, Issue 19, 2003, Pages 5974-5988

  Vrajmasu, Vladislav ^a   Munck, Eckard ^a   Bominaar, Emile L ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; DYES, REAGENTS, INDICATORS, MARKERS AND BUFFERS; IRON; IRON 57; LIGAND; NITRITE; NITROGENASE; OXYGEN;

ARTICLE; CALIBRATION; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMISTRY; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ISOMER; ISOMERISM; OXIDATION REDUCTION REACTION; THEORY; X RAY CRYSTALLOGRAPHY;

CALIBRATION; CRYSTALLOGRAPHY, X-RAY; INDICATORS AND REAGENTS; IRON; IRON RADIOISOTOPES; ISOMERISM; LIGANDS; NITROGENASE; OXIDATION-REDUCTION;

EID: 0141480187     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0301371     Document Type: Article

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