Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations

Theoretical Chemistry Accounts

Volumn 117, Issue 5-6, 2007, Pages 885-901

  Amovilli, Claudio ^a   Cacelli, Ivo ^a   Cinacchi, Giorgio ^a   De Gaetani, Luca ^a   Prampolini, Giacomo ^a   Tani, Alessandro ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Ab initio force field; Condensed matter; Liquid crystals; Simulation methods

Indexed keywords

EID: 34247644901     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0209-y     Document Type: Article

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