Torsional potentials and full-dimensional simulation of electronic absorption spectra of para-Phenylenevinylene oligomers using semiempirical hamiltonians

Journal of Theoretical and Computational Chemistry

Volumn 9, Issue 1, 2010, Pages 249-263

  LukeŠ, Vladimír ^a   Šolc, Roland ^a   Barbatti, Mario ^b   Lischka, Hans ^b,c   Kauffmann, Harald Friedrich ^b  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b UNIVERSITY OF VIENNA   (Austria)

^c INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

Ab initio; Potential energy surface; PPV; RI CC2; Stilbene

Indexed keywords

EID: 77952805281     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633610005645     Document Type: Article

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