Conformations and torsional potentials of poly(3-hexylthiophene) oligomers: Density functional calculations up to the dodecamer

Computational and Theoretical Chemistry

Volumn 995, Issue , 2012, Pages 36-42

  Bhatta, Ram S ^a   Yimer, Yeneneh Y ^b   Tsige, Mesfin ^b   Perry, David S ^a  

^a UNIVERSITY OF AKRON   (United States)

^b University of Akron   (United States)

Author keywords

Conformations; Electronic delocalization; Geometric convergence; Torsional potentials

Indexed keywords

EID: 84864939266     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.06.026     Document Type: Article

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