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dc.creatorCarney, G. D.en_US
dc.date.accessioned2006-06-15T13:38:46Z
dc.date.available2006-06-15T13:38:46Z
dc.date.issued1975en_US
dc.identifier1975-RE-11en_US
dc.identifier.urihttp://hdl.handle.net/1811/9349
dc.descriptionAuthor Institution: Battelle Memorial Instituteen_US
dc.description.abstractWith the Barbe, Secroun, and Jouve quartic potential function for ozone and the full Watson Hamiltonian for vibrational motion, accurate variational energies and wavefunctions are calculated. Matrix elements of the internal coordinates are expressed using these variational wave-functions. Nonlinear least-squares fitting of the variational IR intensities to the experimental absorption coefficients of McCaa and Shaw yielded first and second derivatives of the dipole moment function. Only when quadratic terms were kept in the dipole moment expansion could the intense absorption of the (101) band be quantitatively treated. With the quadratic dipole moment function, IR intensities are calculated for a variety of isotopic combinations. We hope that these results will be useful to chemists concerned with ozone in the atmosphere, and we note a need for calculations of the dipole moment of ozone using configuration-interaction wave-functions as a function of molecular geometry.en_US
dc.format.extent122072 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleDETERMINATION OF DIPOLE MOMENT FUNCTION FOR OZONE FROM THE OBSERVED IR ABSORPTION INTENSITIES USING VARIATIONAL VIBRATION ANALYSISen_US
dc.typearticleen_US


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