From the Killing Fields to the self-consistent field: The adventures of a Cambodian refugee in quantum chemistry

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2011-01-01
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Sok, Sarom
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Mark S. Gordon
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Chemistry

The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).

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The Department of Chemistry was founded in 1880.

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1880-present

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Chemistry
Abstract

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.

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Sat Jan 01 00:00:00 UTC 2011