Theoretical Chemical Dynamics Studies of Reactions in Energetic Materials.

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 theoretical/computational methods for investigating reactions in condensed-phase energetic materials.

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Document Details

Document Type
Technical Report
Publication Date
Oct 16, 1995
Accession Number
ADA301062

Entities

People

  • Donald L. Thompson

Organizations

  • Oklahoma State University–Stillwater

Tags

DTIC Thesaurus Topics

  • Chemical Kinetics
  • Chemical Reactions
  • Computational Science
  • Decomposition
  • Dynamics
  • Energetic Materials
  • Materials
  • Nitramines

Readers

  • Quantum Chemistry
  • Systems Analysis and Design