A Density Functional Theory Investigation of Fe-N-O Bonding in Heme Proteins and Model Systems

Journal of the American Chemical Society

Volumn 125, Issue 52, 2003, Pages 16387-16396

  Zhang, Yong ^a   Gossman, William ^a   Oldfield, Eric ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); HYPERFINE COUPLINGS; MOLECULAR ORBITALS;

COMPLEXATION; COMPUTATIONAL METHODS; CRYSTALLOGRAPHY; DIAMAGNETIC MATERIALS; HYDROGEN BONDS; METALLORGANIC POLYMERS; MOSSBAUER SPECTROSCOPY; PARAMAGNETIC MATERIALS; PARAMAGNETIC RESONANCE; PROBABILITY;

PROTEINS;

HEMOPROTEIN; IMIDAZOLE DERIVATIVE; IRON; METALLOPROTEIN; NITROGEN; NITROSYL HEMOGLOBIN; OXYGEN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ENERGY; HYDROGEN BOND; LIGAND BINDING; METABOLISM; MOSSBAUER SPECTROSCOPY; QUANTUM CHEMISTRY; TEMPERATURE;

HEMEPROTEINS; IRON; MODELS, CHEMICAL; MODELS, MOLECULAR; NITROGEN; OXYGEN; SPECTROSCOPY, MOSSBAUER;

EID: 0345802951     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja030340v     Document Type: Article

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