Towards in silico liquid crystals. Realistic transition temperatures and physical properties for n-cyanobiphenyls via molecular dynamics simulations

ChemPhysChem

Volumn 10, Issue 1, 2009, Pages 125-136

  Tiberio, Giustiniano ^a   Muccioli, Luca ^a   Berardi, Roberto ^a   Zannoni, Claudio ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Liquid crystals; Molecular dynamics; Odd even effect; Order parameters; Phase transitions

Indexed keywords

LIQUID CRYSTALS; PHASE TRANSITIONS; TEMPERATURE;

ISOTROPIC SAMPLES; ISOTROPIC-NEMATIC TRANSITIONS; MOLECULAR DYNAMICS SIMULATIONS; ODD-EVEN EFFECTS; ORDER PARAMETER; ORIENTATIONAL ORDER PARAMETERS; RESIDUAL DIPOLAR COUPLINGS; UNITED ATOM FORCE FIELD;

MOLECULAR DYNAMICS;

EID: 58149493259     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800231     Document Type: Article

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