Effects of the CN and NH2 substitutions on the geometrical and optical properties of model vinylfluorenes, based on DFT calculations

Journal of Molecular Structure: THEOCHEM

Volumn 939, Issue 1-3, 2010, Pages 75-81

  Meeto, Wichanee ^a   Suramitr, Songwut ^a   Lukeš, Vladimír ^b   Wolschann, Peter ^c   Hannongbua, Supa ^a  

^a National Nanotechnology Center   (Thailand)

^b SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^c UNIVERSITY OF VIENNA   (Austria)

Author keywords

Bifluorenevinylene; Conducting polymer; Density functional theory; Substitutional effect; Torsional potential; Vertical excitation energy

Indexed keywords

EID: 72049107496     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.09.043     Document Type: Article

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