The computational demands of modern chemical research require the proper computing system that would avoid wasteful bottlenecks by balancing a variety of computational capabilities with individual workstations, networks, hardware and software maintenance, support personnel and training in all areas of computational chemistry. Many new insights into kinetics of chemical reactions can be developed through theoretical studies with use of mini- supercomputers when the experimental data are inaccessible. In addition, the most cost-effective computers are the mini- supercomputers. This award will allow the Department of Chemistry at the University of Wisconsin to acquire a mini-supercomputer system. The research studies to be performed include the following: l. Local Polymer Dynamics 2. Cation Radical Chemistry 3. Theoretical Studies of Molecular Dynamics and Spectroscopy 4. Relaxation, Spectroscopy and Transport in Condensed Phases 5. Prediction and Interpretation of Molecular Spectra 6. Reaction Hypersurfaces of Photochemical Reactions
