This grant from the Theoretical and Computational Chemistry Program supports studies of the factors that determine relative amounts of various chemical fragments that are produced when a molecule decomposes after absorption of light energy. This will contibute to the development of schemes to control product formation in chemical reactions via design of coherent pulse sequences. The project will involve the development of new theoretical methods for calculation of wave packet propagation on bifurcating potential energy surfaces, a new and promising method for the treatment of chemical dynamics. Applications will be made to several systems of current experimental interest, including ozone, methyl iodide, methylene iodide, and bromoiodomethane.
