Browsing Physics and Astronomy publications (MU) by Title "Application of empirical interatomic potentials to the calculation of the structure and dynamics of paraffin molecules adsorbed on graphite"
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Application of empirical interatomic potentials to the calculation of the structure and dynamics of paraffin molecules adsorbed on graphite
(American Physical Society, 1979)The adsorption of a single molecule of ethane, propane, and butane on a basal-plane surface of graphite is investigated using empirically derived carbon-hydrogen and carbon-carbon potentials. The principal motivation for ...