The intermolecular potential function of Smith–Thakkar type for C60 |
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Authors: | Feng-Ling Liu Jie Wang |
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Affiliation: | aDepartment of Chemistry, Shandong Normal University, Jinan 250014, People’s Republic of China |
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Abstract: | The intermolecular potential function of Smith–Thakkar type for C60 has been proposed, and its expression is as followsThe unit of u(r) is J/mol, r is the distance between two C60 molecules center and the unit is nm. Some properties of C60 in the gas and crystal have been studied using the interaction potential of Smith–Thakkar type, such as stability of C60 crystals, virial coefficient and lattice dynamics. |
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Keywords: | The intermolecular potential function of Smith–Thakkar type for C60 C60 crystal Virial coefficient Lattice dynamics |
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