DFT description of the magnetic properties and electron localization in dinuclear di-μ-oxo-bridged manganese complexes

Chemistry - A European Journal

Volumn 8, Issue 21, 2002, Pages 5019-5027

  Barone, Vincenzo ^a   Bencini, Alessandro ^b   Gatteschi, Dante ^b   Totti, Federico ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

Author keywords

Density functional calculations; Electron transfer; Magnetic properties; Manganese; Mixed valent compounds

Indexed keywords

COMPLEXATION; ELECTRON TRANSPORT PROPERTIES; MAGNETIC PROPERTIES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

DINUCLEAR SYSTEMS;

MANGANESE;

MANGANESE DERIVATIVE;

ANALYTIC METHOD; ARTICLE; CALCULATION; COMPLEX FORMATION; ELECTRON TRANSPORT; MAGNETIC FIELD; MOLECULAR INTERACTION; PHASE TRANSITION; PROTEIN LOCALIZATION; QUANTUM MECHANICS; SEMICONDUCTOR;

EID: 0037021080     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20021104)8:21<5019::AID-CHEM5019>3.0.CO;2-Y     Document Type: Article

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