Molecular dynamics simulation of a weakly interacting system, quinuclidine–benzene. II

A system corresponding to a 6 mol % quinuclidine solution in benzene is simulated using the molecular dynamics technique. Results are reported for the structure of the liquid and the dynamics of the two components in the solution. The translational diffusion coefficients are reported and compared with the experiments. Both the tumbling and the spinning motion of the molecules are investigated and compared with previously reported NMR data. The reorientations are analyzed using several models for dynamics in liquids.