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Title: Molecular dynamics simulation of clathrates: noble gases in the cages of β-hydroquinonestar, open
Authors: Santikary, P
Yashonath, S
Rao, C N R
Issue Date: 8-May-1992
Publisher: Elsevier Science BV
Citation: Chemical Physics Letters 192(4), 390-394 (1992)
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.
Description: Restricted Access
Other Identifiers: 0009-2614
Appears in Collections:Research Papers (Prof. C.N.R. Rao)

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