Interactions between benzene molecules

Abstract

A number of semi-empirical potentials are presented for benzene interactions that include both two-body and three-body effects. The two-body interaction gives accurate second virial coefficients for benzene vapour and when combined with a three-body term gives a good account of the static lattice energy and lattice parameters of the zero temperature crystal. A formula for the three-body quadrupole-induction energy is also derived.