Show simple item record

dc.creatorNemukhin, A. V.en_US
dc.creatorGrigorenko, B. L.en_US
dc.date.accessioned2007-11-20T17:06:44Z
dc.date.available2007-11-20T17:06:44Z
dc.date.issued1995en_US
dc.identifier1995-MK-03en_US
dc.identifier.urihttp://hdl.handle.net/1811/29541
dc.description1. J.M. Hutson, J. Chem. Phys. 96, 6752 (1992) 2. F.M. Tao, and W. Klemperer, J. Chem. Phys. 101, 1129 (1994) 3. S. Liu, Z. Bacic, J.W. Moskowitz, and K.E. Schmidt, J. Chem. Phys. 100, 7166 (1994); 101, 6359 (1994); 101,en_US
dc.descriptionAuthor Institution: Moscow State University, Moscow, 119899 GSP, RUSSIA.en_US
dc.description.abstractMolecular dynamics calculations have been carried out in order to simulate vibrational red shifts for the HF molecule coupled to argon clusters $Ar_{n} (n = 1-62)$. The interaction potential for each Ar-H-F trimer has been constructed following the ideas of the diatomics-in-molecules approach. If both neutral and ionic states of hydrogen and fluorine are taken into account, the triatomic PES incorporating non-additive contributions is consistent with the surfaces described $previously^{1,2}$. Combined with the conventional Ar-Ar interaction potentials, molecular dynamics treatment leads to correct vibrational red shifts for HF induced by argon $clusters^{3}$. These calculations manifest directly the importance of many-body effects for an adequate prediction of properties of matrix-isolated molecules.en_US
dc.format.extent53999 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleSIMULATIONS OF ARGON-INDUCED VIBRATIONAL RED SHIFTS IN HFen_US
dc.typearticleen_US


Files in this item

Thumbnail

Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record