Spin densities, conformations and rotational energy barriers around the C(O)-N bond in acylaminoxyl (RC(=O)-N(-O)r′; R,R′=H,CH3) radicals: Ab initio and density functional study

Journal of Molecular Structure: THEOCHEM

Volumn 401, Issue 1-2, 1997, Pages 55-68

  Komaromi, Istvan ^a   Tronchet, Jean M J ^a  

^a Faculty of Psychology and Educational Sciences   (Switzerland)

Author keywords

Ab initio; Acylaminoxyls; DFT; Hyperfine coupling constants; Spin density

Indexed keywords

EID: 0345444550     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04993-7     Document Type: Article

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