Molecular dynamics calculations for solid and liquid acetylene |
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| Authors: | Michael L. Klein Ian R. McDonald |
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| Affiliation: | Division of Chemistry, National Research Council of Canada, Ottawa, Canada K1A OR6;Department of Physical Chemistry, University of Cambridge, Cambridge CB2 1EP, UK |
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| Abstract: | Two recently proposed intermolecular potentials are used in computer simulations of bulk acetylene. One of the potentials may prove a useful starting point in the construction of a satisfactory model, but progress is hampered by the lack of suitable experimental data. |
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