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

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1979

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Ohio State University

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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.

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$^{*}$ Supported in part by the Air Force Office of Scientific Research
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http://hdl.handle.net/1811/11087

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979