Theoretical studies on magnetic interactions between Ni(II) ions in urease

Polyhedron

Volumn 24, Issue 16-17, 2005, Pages 2778-2783

  Maruno, Yusuke ^a   Shoji, Mitsuo ^a   Koizumi, Kenichi ^a   Nishiyama, Yusuke ^a   Kitagawa, Yasutaka ^a   Kawakami, Takashi ^a   Okumura, Mitsutaka ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Bridging water; Density functional theory; Magnetic interactions; Urease

Indexed keywords

ELECTRONIC STRUCTURE; IONS; NICKEL COMPOUNDS;

ACTIVE SITE; BRIDGE MODEL; BRIDGING WATER; CHEMICAL SPECIES; DENSITY-FUNCTIONAL-THEORY; EFFECTIVE EXCHANGE INTEGRALS; MAGNETIC INTERACTIONS; OH -; THEORETICAL STUDY; UREASE;

DENSITY FUNCTIONAL THEORY;

EID: 27644589714     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.03.161     Document Type: Conference Paper

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