Symmetry-lowering distortion of near-infrared polymethine dyes-a study by first-principles methods

Journal of Molecular Structure: THEOCHEM

Volumn 766, Issue 1, 2006, Pages 49-60

  Fabian, J ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Electronic transitions; Hartree Fock calculations; Polarizable continuum model calculations; Restricted and unrestricted density functional theory calculations; Singlet singlet instability; Singlet triplet instability; Symmetry breaking

Indexed keywords

EID: 33746916769     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.02.003     Document Type: Article

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