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dc.creatorEast, Allan L. L.en_US
dc.date.accessioned2006-06-15T19:14:18Z
dc.date.available2006-06-15T19:14:18Z
dc.date.issued1999en_US
dc.identifier1999-MG-06en_US
dc.identifier.urihttp://hdl.handle.net/1811/19257
dc.descriptionAuthor Institution: Department of Chemistry, The University of Akronen_US
dc.description.abstractThe weakly-bound nitric oxide dimer, with dissociation energy $D_{0} = 2.1 kcal mol^{-1}$, is over 7 times more strongly bound than the carbon monoxide dimer, due to unusual partial covalent bonding. Using CASSCF and MRCISD calculations, the lowest 8 states are computed to lie within a 1 eV span, corresponding to electronic excitations in the in frared. As well, coupled-cluster CCSD(T) calculations of the vibrational fundamentals of $(NO)_{2}$ and $(NO)^{+}_{2}$ were performed, which aided both (i) the spectroscopic detection of the previously unknown gas-phase fundamentals of the neutral, and (ii) the interpretation of the ZEKE photoionization spectrum obtained a few years ago.en_US
dc.format.extent76115 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleTHE ELECTRONIC STATES AND VIBRATIONAL FUNDAMENTALS OF THE NITRIC OXIDE DIMER, $(NO)_{2}$, AND DIMER CATION, $(NO)^{+}_{2}$en_US
dc.typearticleen_US


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