Computer simulation of liquid methanol ii:system size effects
Rights accessRestricted access - publisher's policy
A series of molecular dynamics simulations of liquid methanol has been carried out on a supernode transputer array. Four system sizes from 125 to 512 molecules have been considered, in order to study the effect of system size on the calculated structural, orientational and dynamic properties. The dielectric constant and the dielectric relaxation time are compared with experimental data.
CitationCasulleras, J.; Guardia, E. Computer simulation of liquid methanol ii:system size effects. "Molecular simulation", Gener 1991, vol. 8, núm. 3-5, p. 273-283.