Electronic and spin structures of manganese clusters in the photosynthesis II system

Polyhedron

Volumn 24, Issue 16-17, 2005, Pages 2767-2777

  Isobe, Hiroshi ^a   Shoji, Mitsuo ^a   Koizumi, Kennichi ^a   Kitagawa, Yasutaka ^a   Yamanaka, Shusuke ^a   Kuramitsu, Seiki ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Ab initio GSO calculation; Heisenberg model; Manganese clusters; Oxygen evolution; Photosynthesis II; Reaction mechanism

Indexed keywords

CALCIUM; MANGANESE OXIDE; MOLECULAR ORBITALS; MOLECULAR OXYGEN; ORBITAL CALCULATIONS; PHOTOSYNTHESIS;

AB INITIO; AB INITIO GENERAL SPIN ORBITAL CALCULATION; ELECTRONIC.STRUCTURE; HEISENBERG MODELS; MANGANESE CLUSTER; ORBITALS CALCULATIONS; OXYGEN EVOLUTION; PHOTOSYNTHESIS II; REACTION MECHANISM; SPIN-ORBITALS;

GROUND STATE;

EID: 27644500530     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.08.049     Document Type: Conference Paper

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