Theory of Solvation and Chemical Reaction Dynamics in Polar Media

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This Research Opportunities for Women Career Advancement Award project is in the general area of Physical Chemistry in the subfield of Theoretical and Computational Chemistry. Recently Professor Ladanyi has been studying solution phase reaction dynamics in collaboration with Professor J. T. Hynes at the University of Colorado and Professor G. T. Evans at Oregan State University. Her contribution to these projects has mostly dealt with the application of integral equation approaches to evaluate the effects of equilibrium solvation on the reaction free energy surfaces. This award will allow her group to expand the scope of this research by applying computer simulation methods to the study of static and dynamic solvation and by developing and applying analytical dynamical models to the effects of non-equilibrium solvation on chemical reaction rates.