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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Participation of d Orbitals In Bonding of Sulphur by Minimal Basis Calculations

Ohorodnyk, Helen 11 1900 (has links)
<p> The involvement of d orbitals in the coordination of sulphur in three simple sulphur compounds ls Investigated using an ab initio approach. Comparison of minimal and extended basis set results for molecular properties such as dipole moment, molecular geometry, and force constants provides a means of establishing the importance of d orbitals In sulphur compounds and probably other second row compounds. Excited states of sulphur dioxide and ozone are studied in the hope of elucidating the respective spectra on a theoretical basis. These investigations also provide initial data for the parametrization of the semi-empirical CNDO approach for second row atoms. </p> / Thesis / Master of Science (MSc)

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