The electronic and vibrational structures of the vis-UV transitions in the 1,3-dicyanomethylene croconate anion in terms of CASSCF and DFT theory. The Franck-Condon analysis of 12B1→12A 2 and 12B1→22A2 transitions

Chemical Physics Letters

Volumn 376, Issue 5-6, 2003, Pages 631-637

  Makowski, Marcin ^a   Pawlikowski, Marek T ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

1,3 DICYANOMETHYLENE CROCONATE; ANION; METHYL GROUP; RADICAL; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; DENSITY FUNCTIONAL THEORY; LIGHT ABSORPTION; MOLECULAR DYNAMICS; THEORY; ULTRAVIOLET RADIATION;

EID: 0141561933     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)01039-X     Document Type: Article

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