Modeling benzene with single-site potentials from ab initio calculations: A step, toward hybrid models of complex molecules

Journal of Chemical Physics

Volumn 120, Issue 8, 2004, Pages 3648-3656

  Cacelli, I ^a   Cinacchi, G ^b   Prampolini, G ^a   Tani, A ^a  

^a UNIVERSITY OF PISA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ATMOSPHERIC PRESSURE; COMPLEXATION; COMPUTER SIMULATION; LIQUID CRYSTALS; MATHEMATICAL MODELS; MELTING; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE DIAGRAMS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

CORRELATION FUNCTIONS; INTERACTION ENERGY;

BENZENE;

EID: 1642617396     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1642594     Document Type: Review

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