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THEORETICALCALCULATIONS ON THE EXCITED STATES OF $ NO_{2}$ AND $O_{3} $

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/15926

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Title: THEORETICALCALCULATIONS ON THE EXCITED STATES OF $ NO_{2}$ AND $O_{3} $
Creators: Hay, P. Jeffrey; Dunning, T. H., Jr.; Goddard, W. A., III
Issue Date: 1973
Abstract: Results from ab initio calculations on the low-lying excited states of $NO_{2}$ and $O_{3} $are presented. We find eight excited electronic states for $NO_{2}$ with calculated vertical excitation energies less than 7 eV while for $O^{3}$ there are nine excited states below 6 eV. For each molecule there exists one excited state $(^{2}B_{1}$ for $NO_{2}$ and $^{1}A_{1}$ for $O_{3})$ with the geometry of a three-membered ring.
URI: http://hdl.handle.net/1811/15926
Other Identifiers: 1973-C-10
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