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.
- Publication:
-
Air Force Interim Report
- Pub Date:
- November 1983
- Bibcode:
- 1983aifo.reptR....D
- Keywords:
-
- Chemical Reactions;
- Electrochemistry;
- Molecular Energy Levels;
- Molecular Orbitals;
- Aluminum Alloys;
- Computation;
- Decomposition;
- Explosives;
- Lasers;
- Propellants;
- Trinitrotoluene;
- Atomic and Molecular Physics