Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 4 of 4 for “"Recoupled pair bond"”.
-
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 …
-
Insights into the chemistry of sulfur-containing molecules
… 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 …
-
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 …
-
Theoretical studies of the bonding, energetics and spectra of sulfur and phosphorus halides, and reactivity of divalent sulfur compounds: impact of recoupled pair bonding
… (n=2-4)—are presented in this dissertation. The bonding in the ground and excited states of these species was analyzed using generalized valence bond theory. These (and other) studies have led to a model—the recoupled pair bond (RPB) model—that provided much insight into the electronic structure …