Atom-atomic potentials and the correlation distribution functions for modeling liquid benzene by the molecular dynamics methods |
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Authors: | Bogdan T. V. |
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Affiliation: | 1.Faculty of Chemistry,Moscow State University,Leninskie gory, Moscow,Russia |
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Abstract: | A brief review of the potential functions used in the molecular dynamics modeling of liquid benzene is presented. The structural characteristics of liquid benzene obtained from the correlation distribution functions are discussed. It is demonstrated that, within the framework of this approach, the predicted structure of liquid benzene is virtually independent of the form of the potential used. |
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