| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5419002 | Journal of Molecular Structure: THEOCHEM | 2006 | 5 Pages |
Abstract
The intermolecular potential function of Smith-Thakkar type for C60 has been proposed, and its expression is as followsu(r)=352.48(r2-0.72582)6-6262.60(r2-0.72582)3(r>0.7258nm)â(r⩽0.7258nm)The 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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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Feng-Ling Liu, Jie Wang,