Accession Number:

ADA301062

Title:

Theoretical Chemical Dynamics Studies of Reactions in Energetic Materials.

Descriptive Note:

Final rept. 1 Sep 93-31 Aug 95,

Corporate Author:

OKLAHOMA STATE UNIV STILLWATER DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1995-10-16

Pagination or Media Count:

9.0

Abstract:

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.

Subject Categories:

  • Inorganic Chemistry
  • Organic Chemistry
  • Physical Chemistry
  • Ammunition and Explosives
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE