This award is the starter grant increment of Dr. Truong's Postdoctoral Fellowship in Chemistry. The research will develop and apply theoretical and computational methods to study the reactive dynamics of chemical reactions in different environments. Classical dynamics and quantum dynamics will be applied to proton and hydride transfer in biological systems. Semiempirical molecular orbital methods will be modified to treat reactions in solution. New methods for describing marcromolecules on metallic surfaces will also be developed using a variational transition state theory for the purpose of probing the details of reactive dynamics in these systems. %%% The theoretical prediction of environment effects on chemical reactions is important because it can result in the better understanding of the rate at which reactions occur under environmental conditions.
