Ab initio study of the singlet-triplet splitting in reduced polyoxometalates

Theoretical Chemistry Accounts

Volumn 123, Issue 1-2, 2009, Pages 3-10

  De Graaf, Coen ^a,b   Caballol, Rosa ^a   Romo, Susanna ^a   Poblet, Josep M ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

DDCI; Magnetic interactions; Polyoxometalates; Valence bond

Indexed keywords

EID: 67349169963     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0553-9     Document Type: Article

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