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dc.creatorYeo, G. A.en_US
dc.date.accessioned2006-06-15T18:25:58Z
dc.date.available2006-06-15T18:25:58Z
dc.date.issued1989en_US
dc.identifier1989-WG-2en_US
dc.identifier.urihttp://hdl.handle.net/1811/18041
dc.descriptionAuthor Institution: Department of Chemistry, University of the Witwatersranden_US
dc.description.abstractThe Gaussian-80 computer program has been used to calculate the structures, dimerization energies, infrared band wavenumbers and intensities of two hydrogen bonded dimers of hydroxylamine, at the restricted Hartres-Fock level of theory and employing the 5-31G.. basis set. The calculated properties are compared with those of the monomer, reported earlier, and are rationalized on the basis of the natures of the two dimers. The calculated intensity changes are interpreted in terms of changes in some of the atonic polar tensor elements resulting from dimer formation.en_US
dc.format.extent39376 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleAB INITIO MOLECULAR ORBITAL CALCULATIONS OF THE INFRARED SPECTRUM OF THE HYDROXYLAMINE DINERen_US
dc.typearticleen_US


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