Overestimation of the stability of the π-delocalized versus the σ-localized configuration in radicals by current density functionals: The case of vinylacyl radicals

Theoretical Chemistry Accounts

Volumn 104, Issue 6, 2000, Pages 455-460

  Guerra, Maurizio ^a  

^a CNR   (Italy)

Author keywords

Density functional theory; Electronic configurations; Energy; Quadratic configuration interaction with single and double excitations; Radicals

Indexed keywords

EID: 0034403401     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140000167     Document Type: Article

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