Orientational and translational correlations of liquid methane over the nanometer-picosecond scales by molecular dynamics simulation and inelastic neutron scattering.

Abstract

Five models for the site-site intermolecular pair interactions of methane are compared in some detail and used to investigate both structural and dynamical properties of the dense liquid deuteromethane by means of molecular dynamics (MD) simulations. The orientational distribution probabilities of molecular pairs are carefully analyzed for each anisotropic… (More)
DOI: 10.1063/1.3653477

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Cite this paper

@article{Sampoli2011OrientationalAT, title={Orientational and translational correlations of liquid methane over the nanometer-picosecond scales by molecular dynamics simulation and inelastic neutron scattering.}, author={Maria Lucia Sampoli and Enrico Guarini and Ubaldo Bafile and Fabrizio Barocchi}, journal={The Journal of chemical physics}, year={2011}, volume={135 15}, pages={154508} }