Theoretical studies on electronic structures and chemical indices of the active site of oxygenated and deoxygenated hemerythrin

Bulletin of the Chemical Society of Japan

Volumn 81, Issue 1, 2008, Pages 91-102

  Takano, Yu ^a   Isobe, Hiroshi ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITES; ANTIFERROMAGNETIC COUPLINGS; CHEMICAL INDICES; DIOXYGEN BINDINGS; EXPERIMENTAL VALUES; MAGNETIC COUPLING CONSTANTS; MARINE INVERTEBRATES; NATURAL ORBITALS; ORBITAL INTERACTIONS; REALISTIC MODELS; SUPEREXCHANGE INTERACTIONS; TRANSFER MECHANISMS;

ANTIFERROMAGNETISM; CHEMICAL BONDS; COUPLINGS; ELECTRONIC STRUCTURE; FLOW INTERACTIONS; IONIZATION POTENTIAL; MAGNETIC MATERIALS; MOLECULAR OXYGEN; OXYGEN;

MAGNETIC COUPLINGS;

EID: 58149307439     PISSN: 00092673     EISSN: 13480634     Source Type: Journal    
DOI: 10.1246/bcsj.81.91     Document Type: Article

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