Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo12O40(VO)2]5-

Chemical Physics Letters

Volumn 428, Issue 1-3, 2006, Pages 88-92

  Rodríguez Fortea, Antonio ^a   de Graaf, Coen ^a,b   Poblet, Josep M ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

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

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ELECTRONS; MOLYBDENUM; PROBABILITY DENSITY FUNCTION;

ELECTRONIC DISTRIBUTION; EXCHANGE COUPLING; MOLECULAR ORBITALS; POLYOXOANIONS;

ORGANIC COMPOUNDS;

EID: 33747795252     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.050     Document Type: Article

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