3910819

SCGVB descriptions of chemical bonding in small and not-so-small molecules

Date
August 13, 2023
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Spin-coupled generalized valence bond (SCGVB) theory has provided insights into chemical bonding for molecular species both exotic and commonplace. Examining the behavior of molecules with unusual structures and/or trends is particularly valuable to validate theories of chemical bonding, as such theories are usually not developed with such “odd-ball” cases in mind. In this talk we will cover how SCGVB theory can help us to understand the properties of a variety of molecules, from small sulfur-oxygen species to larger high explosive molecules. We will use the recoupled pair bonding framework to understand some anomalous behavior in chlorinated sulfur-oxygen compounds, and we will comment on future potential applications of SCGVB theory to other energetic molecules.

Speaker

Speaker Image for Thom Dunning
University of Washington

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