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dc.creatorSuzuki, S.en_US
dc.creatorBlake, Geoffrey A.en_US
dc.date.accessioned2007-11-20T17:16:26Z
dc.date.available2007-11-20T17:16:26Z
dc.date.issued1995en_US
dc.identifier1995-FC-12en_US
dc.identifier.urihttp://hdl.handle.net/1811/29926
dc.descriptionAuthor Institution: California institute of Technology, Mail Stop 127-72, Pasadena, CA 91125; California institute of Technology, Mail Stop 127-72, Pasadena, CA 91125en_US
dc.description.abstractAn ab initio intermolecular potential energy surface for the benzene-water dimer was obtained using the Gaussian 92 suite of programs. Supramolecular approaches using both monomer centered and mid-bond functions were utilized, with detailed counterpoise calculations performed at all cluster geometries sampled to estimate basis set superposition error. Diffusion Monte Carlo methods were then used to characterize the rovibrational ground state. The results of these theoretical studies will be compared with experimental spectra obtained in this laboratory and others.en_US
dc.format.extent35643 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleAB INITIO CALCULATIONS ON THE BENZENE-WATER DIMERen_US
dc.typearticleen_US


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