Electronic structure and magnetism at the active site in ferredoxin: Ab initio approach to (Fe2S2)2+ complex with the 1st peptide shell

Polyhedron

Volumn 24, Issue 16-17, 2005, Pages 2550-2556

  Oda, T ^a   Nagao, H ^a   Sugiyama, A ^a   Wada, K ^a  

^a KANAZAWA UNIVERSITY   (Japan)

Author keywords

Electron transfer; Ferredoxin; Iron sulfur clusters; Magnetism; Polypeptides; Salt bridge

Indexed keywords

AMINO ACIDS; ATOMS; ELECTRONIC STRUCTURE; GROUND STATE; IRON; IRON COMPOUNDS; MOLECULAR ORBITALS; MOLECULES; PEPTIDES; SULFUR;

AB INITIO APPROACH; ACTIVE SITE; CLUSTERS SYSTEM; ELECTRON TRANSFER; ELECTRONIC.STRUCTURE; FERREDOXIN; FIRST PRINCIPLES ELECTRONIC STRUCTURE; IRON-SULPHUR CLUSTERS; ORBITALS; SALT BRIDGES;

MAGNETIZATION;

EID: 27644554761     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.03.167     Document Type: Conference Paper

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