Accession Number : ADA137203

Title :   Theoretical Chemical Calculations on Molecules of Air Force Interest.

Descriptive Note : Final rept.,

Corporate Author : FRANK J SEILER RESEARCH LAB UNITED STATES AIR FORCE ACADEMY CO

Personal Author(s) : Davis,L ; Turner,A ; Guidry,R M ; Menard,T

PDF Url : ADA137203

Report Date : Nov 1983

Pagination or Media Count : 38

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.

Descriptors :   *Molecular orbitals, *Energetic properties, *Computations, Electrochemistry, Explosives, Propellants, Lasers, Chemical reactions, Molecular energy levels, TNT, Theory

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE