Exploring the lowest energy triplet potential energy surface for cyclic C4H4 isomers with the complete basis set ab initio method. Is the transformation of triafulvene into cyclobutadiene possible in their excited states?

Journal of Molecular Structure: THEOCHEM

Volumn 490, Issue 1-3, 1999, Pages 133-144

  Jursic, B S ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

C4H4 isomers; Excited state; Potential energy; Triafulvene; Triplet cyclobutadiene

Indexed keywords

EID: 0033231873     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00086-X     Document Type: Article

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