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dc.creatorSadygov, R. G.en_US
dc.creatorLim, E. C.en_US
dc.date.accessioned2007-11-20T17:16:28Z
dc.date.available2007-11-20T17:16:28Z
dc.date.issued1995en_US
dc.identifier1995-FC-13en_US
dc.identifier.urihttp://hdl.handle.net/1811/29927
dc.descriptionAuthor Institution: The University of Akron, Akron, OH 44325-3601en_US
dc.description.abstractIntermolecular interactions play a key role in a variety of chemical processes ranging from formation of van der Waals clusters to strongly bound charge-transfer complexes. The study of dimers provides new insights into the nature of intermolecular bond forces. This talk will discuss results of ab initio studies of the benzene homodimer cation. Partial geometry optimization and linear changes of intermonomer coordinates have been used to probe the shape of the intermolecular potential energy surface. It is of primary interest in the investigation of virtually all properties of the dimer. The calculations have been carried out on $UCIS/6-31G^{\ast}$ level of the theory for several initial conformations. More sophisticated methods have been employed to study the electron and charge transfer effects in selected geometries.en_US
dc.format.extent40239 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleAB INITIO STUDY OF INTERMOLECULAR INTERACTIONS IN BENZENE DIMER CATIONen_US
dc.typearticleen_US


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