Santikary, P. ; Yashonath, S. ; Rao, C. N. R. (1992) Molecular dynamics simulation of clathrates: noble gases in the cages of β-hydroquinone Chemical Physics Letters, 192 (4). pp. 390-394. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(92)85488-V
Abstract
Molecular dynamics calculations of Ne and Ar in the cages of β-hydroquinone have been carried out. Radial distribution of the guest atoms, energy distribution functions, mean square displacements and power spectra have been obtained. The guest atoms are found to be completely entrapped in the cages, with Ar performing restricted one-dimensional motion and Ne performing restricted three-dimensional motion.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 43435 |
| Deposited On: | 11 Jun 2011 12:49 |
| Last Modified: | 23 Jun 2012 09:11 |
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