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dc.creatorNovick, Stewart E.en_US
dc.date.accessioned2009-07-29T12:47:50Z
dc.date.available2009-07-29T12:47:50Z
dc.date.issued2009en_US
dc.identifier2009-RH-04en_US
dc.identifier.urihttp://hdl.handle.net/1811/38140
dc.descriptionC. H. Townes, B. P. Dailey, \textit{J.~Chem.~Phys.en_US
dc.descriptionAuthor Institution: Department of Chemistry, Wesleyan University, Middletown, CT 06459en_US
dc.description.abstractOne simple way to understand nuclear quadrupole coupling constants is by invoking the model of Townes and Dailey. \textbf{17}, 782 (1949)} This model, involving the field gradients generated by \it p \rm electrons, has usually been used to estimate the fractional ionic character of diatomic molecules from a single nuclear quadrupole coupling constant. We will extend the model to three dimensions for polyatomic molecules and use it to rationalize the perhaps unexpected nuclear quadrupole coupling tensor for molecules such as monobromogermylene (HGeBr) and compare this simple calculation with \it ab initio \rm results.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleEXTENDED TOWNES-DAILEY ANALYSIS OF THE NUCLEAR QUADRUPOLE COUPLING TENSORen_US
dc.typeArticleen_US


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