Improved force field for molecular modeling of poly(3-hexylthiophene)

Journal of Physical Chemistry B

Volumn 117, Issue 34, 2013, Pages 10035-10045

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

^a University of Akron   (United States)

^b UNIVERSITY OF AKRON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE STRUCTURE; EXPERIMENTAL VALUES; EXPLICIT TREATMENTS; MOLECULAR DYNAMICS SIMULATIONS; POLY (3-HEXYLTHIOPHENE); STRUCTURAL PARAMETER; STRUCTURE CALCULATION; TORSIONAL PARAMETERS;

CARRIER MOBILITY; CHAINS; GLASS; MELTING POINT; MOLECULAR DYNAMICS; SURFACE TENSION;

CALCULATIONS;

EID: 84883382030     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp404629a     Document Type: Article

References (78)

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