From the Killing Fields to the self-consistent field: The adventures of a Cambodian refugee in quantum chemistry
Date
2011-01-01
Authors
Sok, Sarom
Major Professor
Advisor
Mark S. Gordon
Committee Member
Journal Title
Journal ISSN
Volume Title
Publisher
Altmetrics
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.
Series Number
Journal Issue
Is Version Of
Versions
Series
Academic or Administrative Unit
Type
dissertation
Comments
Rights Statement
Copyright
Sat Jan 01 00:00:00 UTC 2011