Theoretical Studies of Homogeneous and Heterogeneous Reactions in Silicon Systems
Final rept. 1 Nov 89-31 Oct 91,
OKLAHOMA STATE UNIV STILLWATER DEPT OF CHEMISTRY
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This report summarizes the results of research conducted under AFOSR support with particular emphasis on investigations carried out during three-year period. The research reviewed includes homogeneous and heterogeneous processes of particular importance in the chemical vapor deposition CVD of silicon from silanes and disilanes, the study of chemical processes occurring under conditions of close confinement, non-statistical dynamics and intramolecular energy transfer processes. New methods for 1 obtaining potential energy surfaces for highly complex systems, 2 simulation of the effects of relaxation to the bulk in surface systems, 3 perturbation studies of gas surface scattering, 4 computation of two dimensional surface tunneling rates, 5 highly efficient variational phase space theory calculation of microconical unimolecular reaction rates, and 6 the computation of intramolecular vibrational relaxation rates are also described.
- Inorganic Chemistry
- Physical Chemistry