Violations of Hund's rule in molecules - Where to look for them and how to identify them

Journal of Molecular Structure: THEOCHEM

Volumn 398-399, Issue , 1997, Pages 211-220

  Hrovat, David A ^a   Borden, Weston Thatcher ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

CASPT2N calculations; Diradicals; Disjoint MOs; Hund's rule; Singlet and triplet states

Indexed keywords

EID: 0009630389     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04930-5     Document Type: Article

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