dc.creator Sadygov, R. G. en_US dc.creator Lim, E. C. en_US dc.date.accessioned 2007-11-20T17:16:28Z dc.date.available 2007-11-20T17:16:28Z dc.date.issued 1995 en_US dc.identifier 1995-FC-13 en_US dc.identifier.uri http://hdl.handle.net/1811/29927 dc.description Author Institution: The University of Akron, Akron, OH 44325-3601 en_US dc.description.abstract Intermolecular 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.extent 40239 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title AB INITIO STUDY OF INTERMOLECULAR INTERACTIONS IN BENZENE DIMER CATION en_US dc.type article en_US
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