par Claessens, M.;Ferrario, Mauro;Ryckaert, Jean-Paul 
Référence Molecular Physics, 50, 1, page (217-227)
Publication Publié, 1983
Référence Molecular Physics, 50, 1, page (217-227)
Publication Publié, 1983
Article révisé par les pairs
| Résumé : | Molecular dynamics simulation of liquid benzene is exploited to test the degree of sensitivity of the local structure to the intermolecular potential. Three effective potential models (based on a six Lennard-Jones centres potential) are investigated. The usually admitted picture of a liquid with quasi-crystalline short range molecular arrangement is shown to be very doubtful. Analysis of the crystalline structure predicted by the different interaction potentials indicates a manifest superiority of the only model including a point quadrupole at the centre of the benzene ring. © 1983 Taylor & Francis Group, LLC. |
