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dc.contributor.authorSantikary, P-
dc.contributor.authorYashonath, S-
dc.contributor.authorRao, C N R-
dc.identifier.citationChemical Physics Letters 192(4), 390-394 (1992)en_US
dc.descriptionRestricted Accessen_US
dc.description.abstractMolecular 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.publisherElsevier Science BVen_US
dc.rights© 1992 Elsevier Science BVen_US
dc.titleMolecular dynamics simulation of clathrates: noble gases in the cages of β-hydroquinonestar, openen_US
Appears in Collections:Research Papers (Prof. C.N.R. Rao)

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