Molecular dynamics simulation of clathrates: noble gases in the cages of β-hydroquinonestar, open

Santikary, P; Yashonath, S; Rao, C N R

dc.contributor.author	Santikary, P
dc.contributor.author	Yashonath, S
dc.contributor.author	Rao, C N R
dc.date.accessioned	2012-11-30T11:22:57Z
dc.date.available	2012-11-30T11:22:57Z
dc.date.issued	1992-05-08
dc.identifier	0009-2614	en_US
dc.identifier.citation	Chemical Physics Letters 192(4), 390-394 (1992)	en_US
dc.identifier.uri	https://libjncir.jncasr.ac.in/xmlui/10572/1135
dc.description	Restricted Access	en_US
dc.description.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.	en_US
dc.description.uri	http://dx.doi.org/10.1016/0009-2614(92)85488-V	en_US
dc.language.iso	en	en_US
dc.publisher	Elsevier Science BV	en_US
dc.rights	© 1992 Elsevier Science BV	en_US
dc.title	Molecular dynamics simulation of clathrates: noble gases in the cages of β-hydroquinonestar, open	en_US
dc.type	Article	en_US