Molecular dynamics in solidn-nonadecane: Experiments and computer simulations

We have undertaken a collaborative study on the molecular dynamics and the phase transition mechanisms in low-dimensional molecular crystals by combining incoherent quasielastic neutron scattering, deuterium NMR and computer simulation techniques. In this paper, we summarize the method used for deriving a dynamical model for the reorientations of n-nonadecane molecules in the rotator phase R I of the crystal. This model has been applied successfully to interpret experimental and computational data.