Date of Award
Doctor of Philosophy
Mark S. Gordon
This thesis will focus on the use of quantum chemical tools to study chemical phenomena in water, specifically the hydrolysis mechanism of 1-substituted silatranes and the solvent-induced shifts of the π→π* charge transfer state of p-nitroaniline. Assessment of the performance of some of the quantum chemical tools used and the application of a new approach for the treatment of solvent effects will also be presented.
Sok, Sarom, "From the Killing Fields to the self-consistent field: The adventures of a Cambodian refugee in quantum chemistry" (2011). Graduate Theses and Dissertations. 10172.