Molecular dynamics simulation of liquid CH₂Cl₂and CHCl₃with new pair potentials

Molecular dynamics simulations of liquid dichloromethane CH2Cl2 and chloroform CHCl3 have been carried out at two different temperatures. The calculations are based on new pair potentials derived in part from ab initio data. The results on thermodynamics, static structure, self diffusion coefficients and the rotational motion are compared with experimental and other molecular dynamics results.