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An investigation of solid adamantane by a modified isothermal-isobaric ensemble Monte Carlo simulation

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
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.ernet.in/id/eprint/21808

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