Classical trajectory rigid-rotor calculations of viscosity, diffusion and thermal conductivity have been performed using the anisotropic potential energy surface of van der Avoird et al. for temperatures in the range 77–2150 K. Results are compared with available experimental data and previous calculations. Agreement with the measurements is generally within experimental error when a small second-order contribution is included. Values for the volume viscosity, viscomagnetic and thermomagnetic effects, depolarized Rayleigh scattering and spin relaxation cross-sections are also compared with experiment. While no completely consistent pattern emerges from these comparisons, they suggest that the surface may be insufficiently anisotropic in the regions sampled by collisions at room temperature and below.
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Heck et al. (1994) studied this question.
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