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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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|
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