Role of spin state on the geometry and nuclear quadrupole resonance parameters in hemin complex

Biophysical Chemistry

Volumn 134, Issue 3, 2008, Pages 200-206

  Behzadi, Hadi ^a   van der Spoel, David ^b   Esrafili, Mehdi D ^a   Parsafar, Gholam Abbas ^c   Hadipour, Nasser L ^a,d  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b UPPSALA UNIVERSITY   (Sweden)

^c SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^d INSTITUTE OF CHEMISTRY   (Taiwan)

Author keywords

Asymmetry parameter; Density functional theory; Electric field gradient tensor; Hemin; Nuclear quadrupole coupling constants

Indexed keywords

HEMIN; IRON 57; NITROGEN; NITROGEN 14; OXYGEN 17; PORPHYRIN; PROPIONIC ACID; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD; PRIORITY JOURNAL; QUANTUM CHEMISTRY;

ELECTRONS; HEMIN; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 41549121835     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bpc.2008.02.011     Document Type: Article

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