Theoretical Chemical Calculations on Molecules of Air Force Interest.

Abstract

Semiempirical molecular orbital calculations are reported in areas of basic chemical Air Force research: explosives, propellants, electrochemistry, and the oxygen-iodine laser system. This report is a final report on Work Unit 2303-F4-03, Molecular Orbital Calculations of Energetic Materials. These molecular orbital calculations have given useful insights in each of these areas. In particular, substantial progress on understanding TNT thermochemical decomposition has been made.

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1983
Accession Number
ADA137203

Entities

People

  • A. Turner
  • Lauren Davis
  • R. M. Guidry
  • T. Menard

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Counter IED
  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Decomposition
  • Dissociation
  • Energetic Materials
  • Explosives
  • Ionization
  • Materials
  • Molecules
  • Nitrogen Compounds
  • Nitrogen Oxides
  • Organic Chemistry
  • Propellants
  • Reaction Mechanisms
  • United States

Fields of Study

  • Chemistry
  • Physics

Readers

  • Combustion science or combustion engineering.
  • Missile Defense Systems.
  • Technical Research and Report Writing.

Technology Areas

  • Directed Energy
  • Space