Yashonath, S and Rao, CNR (1986) An investigation of solid adamantane by a modified isothermal-isobaric ensemble Monte Carlo simulation. In: Journal of Physical Chemistry, 90 (12). 2552 -2554.
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Official URL: http://pubs.acs.org/doi/abs/10.1021/j100403a002
Abstract
Isothermal-isobaric ensemble Monte Carlo simulation studies of adamantane have been carried out at different temperatures. Thermodynamic properties and radial distribution functions calculated by employing a simple potential model based on sitesite interactions show good agreement with experiment and suggest that the solid is orientationally disordered at high temperatures.
| Item Type: | Journal Article |
|---|---|
| Publication: | Journal of Physical Chemistry |
| Publisher: | American Chemical Society |
| Additional Information: | Copyright of this article belongs to American Chemical Society. |
| Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 27 Aug 2009 03:48 |
| Last Modified: | 19 Sep 2010 05:39 |
| URI: | http://eprints.iisc.ac.in/id/eprint/21808 |
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