Theoretical Mechanistic Insights into Ground- and Excited-State Approaches to Modifying Reactivity
In this thesis, theoretical chemistry methods have been employed to study the reactivity of different polymeric processes, with the different processes of interest touching on catalysis, photochemistry, and photocatalysis. As necessary, computational methods and procedures were assessed and benchmarked for appropriateness and, when possible, calculated results and conclusions were set in context against experimental data. The main findings of this work are as follows. Multi-component...[Show more]
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