Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases
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DOI: 10.1021/acs.jctc.3c01257
Abstract: The systems of noble gases are particularly instructive for molecular modeling due to the elemental nature of their interactions. They do not normally form bonds nor possess a (permanent) dipole moment, and the only forces… read more here.
Keywords: combination; noble gases; gas; dissociation curves ... See more keywords