Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations

Journal of Physical Chemistry B

Volumn 109, Issue 8, 2005, Pages 3531-3538

  Cacelli, Ivo ^a   Prampolini, Giacomo ^a   Tani, Alessandro ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; LIQUID CRYSTALS; MELTING; MOLECULAR DYNAMICS; QUANTUM THEORY; REACTION KINETICS; STRUCTURE (COMPOSITION); THERMODYNAMICS; TORSIONAL STRESS;

ATOMISTIC MOLECULAR DYNAMICS; ATOMISTIC SIMULATIONS; FRAGMENTATION RECONSTRUCTION METHOD (FRM); NEMATOGEN;

AROMATIC COMPOUNDS;

EID: 14844357243     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0457161     Document Type: Article

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