The use of the CNDO method in spectroscopy: VII. Changes in dipole moment upon excitation |
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| Authors: | Gary W Kuehnlenz Constantin A Masmanidis HH Jaffe´ |
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| Institution: | Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221 U.S.A.;Centre de Me´canique Ondulatoire Applique´e, 23, rue du Maroc, 75019 Paris France |
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| Abstract: | The results of the calculations of changes in dipole moment upon excitation of some organic molecules are discussed in connection with recent high resolution spectroscopic measurements of the same quantities. Calculations are reported for several substituted benzenes, several azines, and for formaldehyde, propynal, formyl fluoride, difluorodiazirine and azulene. The calculations were carried out within the CNDO/S parametrization scheme. |
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| Keywords: | Permanent Address: Department of Chemistry University of Cincinnati Cincinnati Ohio 45221 U S A |
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