Intermolecular force fields of large molecules by the fragmentation reconstruction method (FRM): Application to a nematic liquid crystal

Journal of Physical Chemistry A

Volumn 108, Issue 46, 2004, Pages 10336-10341

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

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COMPLEXITY; COMPUTER SIMULATION; ELECTRIC FIELDS; GEOMETRICAL OPTICS; LARGE SCALE SYSTEMS; PARAMETER ESTIMATION; POTENTIAL ENERGY;

FRAGMENTATION RECONSTRUCTION METHOD (FRM); POTENTIAL ENERGY SURFACE (PES); QUANTUM MECHANICAL APPROACH; STANDARD ATOMISTIC FORCE;

LIQUID CRYSTALS;

EID: 9944223328     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047693g     Document Type: Article

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