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ATMOSPHERIC TRIATOMIC MOLECULAR STUDIES: POTENTIAL ENERGY SURFACE SCAN FOR THE NITROGEN DIOXIDE NEGATIVE $ION^{*}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/11087

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Title: ATMOSPHERIC TRIATOMIC MOLECULAR STUDIES: POTENTIAL ENERGY SURFACE SCAN FOR THE NITROGEN DIOXIDE NEGATIVE $ION^{*}$
Creators: Detrich, John H.; Hopper, D. G.
Issue Date: 1979
Abstract: As a part of a general program on atmospheric molecular systems an ab initio scan of the potential energy surface for the ground state negative ion of nitrogen dioxide has been performed. This scan utilizes both SCF and MCSCF wavefuncions. Particular emphasis has been placed on the location of the potential minimum for the perovy structure N-O-O as well as the normal O-N-O structure. In addition the height and location of the potential barrier between these two structures is delineated.
URI: http://hdl.handle.net/1811/11087
Other Identifiers: 1979-WB'-02
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