Parametrization of the Gay-Berne potential for conjugated oligomer with a high aspect ratio

Journal of Chemical Physics

Volumn 133, Issue 6, 2010, Pages

  Lee, Cheng K ^a   Hua, Chi C ^a   Chen, Show A ^b  

^a NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC COLLOIDS; ASPHERICAL; ATOMISTIC MOLECULAR DYNAMICS; COARSE-GRAINED; CONJUGATED OLIGOMER; FUTURE PERSPECTIVES; GAY-BERNE POTENTIALS; HIGH ASPECT RATIO; INTERMOLECULAR FORCES; LOW ASPECT RATIO; MATERIAL PROPERTY; MOLECULAR DIMENSIONS; MONTE CARLO SIMULATION; PARAMETRIZATIONS; PARTICULATE SPECIES; POTENTIAL APPLICATIONS; POTENTIALS OF MEAN FORCES; SAMPLING SCHEMES; SEMIEMPIRICAL MODELS; SIMPLEX OPTIMIZATION; SYSTEM TEMPERATURE;

CHEMICAL BONDS; COMPUTATIONAL EFFICIENCY; COMPUTER SIMULATION; CONJUGATED POLYMERS; LIQUID CRYSTALS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; OPTIMIZATION;

ASPECT RATIO;

EID: 77955755932     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3467200     Document Type: Article

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