AB INITIO MOLECULAR ORBITAL CALCULATION OF THE DIPOLE MOMENT FUNCTION OF OZONE
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Date
1975
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Publisher
Ohio State University
Abstract
Ab initio molecular orbital calculations were performed to determine the dipole moment function of ozone. The first and second derivatives of the dipole moment were determined with basis sets of various degrees of sophistication to assess the reliability of the results. It is hoped that the magnitude and signs of these derivatives will be of use in analyzing the dipole moment derivatives of ozone from experimental IR intensities.
Description
Author Institution: Battelle Memorial Institute