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dc.creatorSchmiedkamp, Annen_US
dc.creatorSkaarup, Steenen_US
dc.creatorBoggs, James E.en_US
dc.date.accessioned2006-06-15T13:41:12Z
dc.date.available2006-06-15T13:41:12Z
dc.date.issued1975en_US
dc.identifier1975-TD-08en_US
dc.identifier.urihttp://hdl.handle.net/1811/9459
dc.descriptionAuthor Institution: Department of Chemistry, The University of Texasen_US
dc.description.abstractThe structures and energies of pyramidal and planar conformers of the molecules $NH_{3}$, $NH_{2}$F, $NHF_{2}$, and $NF_{3}$ have been calculated with a (7,3) basis of Gaussian lobe functions. The influence of adding d functions to the nitrogen basis set has also been investigated. Structural changes during inversion are discussed as well as the effect of fluorine substitution on the structures and on the inversion barriers.en_US
dc.format.extent69062 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleAB INITIO CALCULATION OF STRUCTURES AND INVERSION BARRIERS IN $NH_{3}$ $NH_{2}$F, $NHF_{2}$, AND $NF_{3}$en_US
dc.typearticleen_US


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