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Molecular dynamics calculations on liquid carbon tetrachloride have been used to parameterize atom-atom intermolecular potentials. The resulting models have been used to study the structure and dynamics of the face centred cubic plastic crystal, phase Ia.

The results of SCF molecular orbital calculations on the ammonia dimer have been used in part to parameterize a set of atom-atom potentials. When combined with a charge distribution which reproduces the experimental dipole and quadrupole moments of the monomer, and with independent estimates of the dispersion energy, the resulting intermolecular potential yields a fair description of certain properties of the condensed phases of ammonia. Liquid ammonia is predicted to have a weakly associated character.

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