Analysis of the magnetic coupling in nitroxide organic biradicals

Theoretical Chemistry Accounts

Volumn 128, Issue 4, 2011, Pages 505-519

  Calzado, Carmen J ^a   Angeli, Celestino ^b   de Graaf, Coen ^c,d   Caballol, Rosa ^c  

^a UNIVERSITY OF SEVILLE   (Spain)

^b UNIVERSITY OF FERRARA   (Italy)

^c UNIVERSITAT ROVIRA I VIRGILI   (Spain)

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

Author keywords

DDCI, CASPT2 and NEVPT2 calculations; Leading magnetic mechanisms; Magnetic interactions; Nitroxide; Organic biradicals

Indexed keywords

EID: 79952191399     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0831-6     Document Type: Article

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