Unified Chemical Rate Theory Based Upon Cylindrical Manifolds and Reactive Islands in Phase Space

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With this grant in the Theoretical and Computational Program of the Chemistry Division, Professor DeLeon will develop a reaction rate theory for molecular isomerization, molecular dissociation and bimolecular reactions. The fundamental idea governing this unified reaction rate theory is the concept of cylindrical manifolds embedded in phase space. Based on this concept, Professor DeLeon will develop a reaction rate theory with two principal features: (1) the theory accurately predicts population decays and rate constants, (2) the theory yields physical insights and quantitative data on the dynamics of a chemical reaction. He will also implement the theory in a simple manner and thus have a quantitative idea about the nature of any necessary approximations. %%% The theories of nonlinear dynamics that Professor DeLeon will apply to the investigation of chemical reaction rates will help the experimentalists to better understand the fundamental molecular processes underlying many important chemical reactions.