Theory of Chemical Reactions in Solution and at Surfaces

University Of Colorado At Boulder, Boulder CO

Investigators

Abstract

J. T. Hynes of the University of Colorado is supported by the Theoretical and Computational Chemistry Program to calculate reaction mechanisms and rates of proton transfer reactions in solution. In addition, he will investigate the microscopic structure of surfaces and the dynamics of reactions upon them relevant to atmospheric ozone depletion. All resulting theoretical predictions will be compared to corresponding experimental studies. This research builds upon past efforts to use highly accurate theoretical calculations to investigate chemical reactions in condensed phase environments. The results of this research will provide understanding of reaction classes central to chemistry, biochemistry, and atmospheric chemistry.