Theoretical Chemical Dynamics Studies of Reactions in Energetic Materials.
Final rept. 1 Sep 93-31 Aug 95,
OKLAHOMA STATE UNIV STILLWATER DEPT OF CHEMISTRY
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This research program is concerned with the development of computational methods mainly, classical and semiclassical and calculations for simulating chemical reactions in many-atom systems. The particular processes of interest are those that occur in the initial stages of the decomposition of energetic materials that are based on nitramines. The long-range goal is the development of theoreticalcomputational methods for investigating reactions in condensed-phase energetic materials.
- Inorganic Chemistry
- Organic Chemistry
- Physical Chemistry
- Ammunition and Explosives
- Atomic and Molecular Physics and Spectroscopy