The Journal of Chemical Physics · 1973 · 35 citations · 6 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsPhysical ChemistrySpectroscopyLiquid CrystalsMolecular Angular MomentumMolecular DynamicsMolecular SymmetryRaman SpectroscopyAsymmetric Top MoleculesAutocorrelation FunctionRelaxation In LiquidsRotational Correlation TimeRotational RelaxationSymmetric Top MoleculesThermal Neutron ScatteringThermal Neutron Spectra
It is shown that the angular velocity autocorrelation function for symmetric top molecules can in principle be determined from infrared and Raman band shapes, and from thermal neutron scattering when the molecular tumbling rate is slow compared with the relaxation of angular momentum. The theory is compared with molecular dynamics studies on a liquid crystal and an isotropic liquid.
6
Gaussian Model Potentials for Molecular Interactions
B. J. Berne, Philip Pechukas · The Journal of Chemical Physics · 1972 · 549 citations
Natural Sciences, Chemistry, Physics +11
Theory of Dielectric Relaxation in Polar Liquids
Tsu-Wei Nee, Robert Zwanzig · The Journal of Chemical Physics · 1970 · 424 citations
Natural Sciences, Chemistry, Physics +16