The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions I. A theoretical investigation of the hyperfine constants of 1,2-and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models

Journal of Molecular Structure: THEOCHEM

Volumn 431, Issue 1-2, 1998, Pages 173-180

  Langgård, Morten ^a,b   Spanget Larsen, Jens ^b  

^a H LUNDBECK A S   (Denmark)

^b ROSKILDE UNIVERSITY   (Denmark)

Author keywords

Hyperfine constants; Polarizable continuum models; Semiquinone radical anions; Solvent effects

Indexed keywords

EID: 84962381116     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00040-2     Document Type: Article

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