Single-molecule dynamics in a molecular cluster - a semi-emprical approach.

Authors
Plazanet, M Johnson, MR Kearley, GJ
Citation
M. Plazanet et al., Single-molecule dynamics in a molecular cluster - a semi-emprical approach., PHYSICA B, 276, 2000, pp. 228-229
Citations number
3
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA B
ISSN journal
09214526 → ACNP
Volume
276
Year of publication
2000
Pages
228 - 229
Database
ISI
SICI code
0921-4526(200003)276:<228:SDIAMC>2.0.ZU;2-U
Abstract
The crystal-held exerted on a single molecule is approximated by a cluster of molecules placed at their crystallographic positions around the probe mo lecule. The vibrational dynamics of the probe molecule are calculated using semi-emprical methods. Observed INS spectra are compared with those calcul ated from the cluster model and an isolated molecule. (C) 2000 Elsevier Sci ence B.V. All rights reserved.