The diagnostic vibrational signature of pentacoordination in heme carbonyls

Journal of the American Chemical Society

Volumn 136, Issue 28, 2014, Pages 9818-9821

  Linder, Douglas P ^a,e   Silvernail, Nathan J ^b   Barabanschikov, Alexander ^c,f   Zhao, Jiyong ^d   Alp, E Ercan ^d   Sturhahn, Wolfgang ^d   Sage, J Timothy ^c   Scheidt, W Robert ^b   Rodgers, Kenton R ^a  

^a NORTH DAKOTA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF NOTRE DAME   (United States)

^c NORTHEASTERN UNIVERSITY   (United States)

^d ARGONNE NATIONAL LABORATORY   (United States)

^e SOUTHWESTERN OKLAHOMA STATE UNIVERSITY   (United States)

^f MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEINS;

DENSITY OF STATE; DFT CALCULATION; HIGHER FREQUENCIES; LOWER FREQUENCIES; NONBONDED INTERACTION; PENTACOORDINATION; STRUCTURAL BASIS; VIBRATIONAL SIGNATURE;

PORPHYRINS;

CARBONYL DERIVATIVE; COBALT; FURAN; HEME; HEME CARBONYL; HEMOPROTEIN; IRON; LIGAND; OXYGEN; PHENOL; PORPHYRIN; UNCLASSIFIED DRUG; CARBON MONOXIDE; CARBONIC ACID DERIVATIVE; FERRIC ION; SIDERITE;

ANALYTIC METHOD; ANISOTROPY; ARTICLE; ATOM; CALCULATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; NUCLEAR RESONANCE VIBRATIONAL SPECTROSCOPY; CHEMISTRY; PROTEIN CARBONYLATION; STEREOISOMERISM; X RAY CRYSTALLOGRAPHY;

ANISOTROPY; CARBON MONOXIDE; CARBONATES; CRYSTALLOGRAPHY, X-RAY; FERRIC COMPOUNDS; HEMEPROTEINS; IRON; LIGANDS; PROTEIN CARBONYLATION; STEREOISOMERISM;

EID: 84904430779     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja503191z     Document Type: Article

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