Global ETD Search
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Showing 1 to 3 of 3 for “"Generalized Valence Bond (GVB) Theory"”.
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Insights into the chemistry of sulfur-containing molecules
In this dissertation, we utilize generalized valence bond (GVB) theory and the recoupled pair bonding model in order to understand the chemical bonding in a variety of sulfur-containing molecules. We use the resulting insights to rationalize experimental and computational results as well as to make …
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General method for the development of models of electronic structure and bonding: covalent bonds, recoupled pair bonds and through-pair interactions
The concept of the chemical bond is essential to our understanding of molecular phenomena. G. N. Lewis laid the groundwork for our understanding of chemical bonds nearly a century ago in his classic 1916 paper in the Journal of the American Chemical Society, “The Atom and the Molecule.” This model …
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Theoretical and computational investigations of the electron and spin correlation in chemical bonds, building a predictive bonding model with generalized valence bond theory
… is to understand the nature of chemical bonds. By understanding the underlying physical and chemical principles of chemical bonding in various molecules, chemists can make predictions about the structures, energetics, reactivities and other properties of chemical species. The …