Cyanovinyl radical: An illustration of the poor performance of unrestricted perturbation theory and density functional theory procedures in calculating radical stabilization energies

Theoretical Chemistry Accounts

Volumn 102, Issue 1-6, 1999, Pages 92-96

  Parkinson, Christopher J ^a   Mayer, Paul M ^a,b   Radom, Leo ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b UNIVERSITY OF OTTAWA   (Canada)

Author keywords

Density functional theory; Radical stabilization energy; Spin contamination; Unrestricted perturbation theory

Indexed keywords

EID: 0033446365     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050477     Document Type: Article

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