Hetero-atom stabilization of zwitterionic non-Kekulé molecules: A DFT study on energy gaps between zwitterionic singlet and biradical triplet states

Journal of Molecular Structure: THEOCHEM

Volumn 724, Issue 1-3, 2005, Pages 215-219

  Tukada, Hideyuki ^a   Bangal, Prakriti Ranjan ^b   Tamai, Naoto ^b   Yokoyama, Yasushi ^c  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b KWANSEI GAKUIN UNIVERSITY   (Japan)

^c YOKOHAMA NATIONAL UNIVERSITY   (Japan)

Author keywords

Biradical; Diazolo 3,4 c diazole; Non Kekul molecules; Triplet; Zwitterion

Indexed keywords

EID: 20344387851     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.055     Document Type: Article

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