Browsing Chemistry by Subject "Molecular orbitals"
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Modern and Classic Quantum Chemistry: Modeling Rhodium-Catalyzed Hydroacylation with Advanced Tools and the Development and Application of Software to Examine Simple Bonding Interactions in a Basis of Molecular Fragments
(East Carolina University, 8/5/2020)In this dissertation, both modern and classic computational methods are utilized to examine two problems of interest in the field of chemistry. The first problem involves a complex rhodium-catalyzed hydroacylation reaction ...