An investigation of solid adamantane by a modified isothermal-isobaric ensemble Monte Carlo simulation
Data(s) |
05/06/1986
|
---|---|
Resumo |
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. |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/21808/1/j100403a002.pdf 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. |
Publicador |
American Chemical Society |
Relação |
http://pubs.acs.org/doi/abs/10.1021/j100403a002 http://eprints.iisc.ernet.in/21808/ |
Palavras-Chave | #Solid State & Structural Chemistry Unit |
Tipo |
Journal Article PeerReviewed |