Accession Number:

ADA055072

Title:

Molecular Orbital Calculations on Molecules of Air Force Interest.

Descriptive Note:

Technical rept.,

Corporate Author:

FRANK J SEILER RESEARCH LAB UNITED STATES AIR FORCE ACADEMY COLO

Personal Author(s):

• Davis,Larry P.
• Guidry,R. Martin

Report Date:

1978-05-01

Pagination or Media Count:

32.0

Abstract:

Quantum mechanical problems of Air Force interest have been studied using available semiempirical molecular orbital programs. Results for NF potential curves were not satisfactory. Studies of molecules involved in TNT thermochemical decomposition, organic electrochemistry, and rocket plumes have yielded promising results. Author

Descriptors:

• *QUANTUM CHEMISTRY
• *MINDO MOLECULAR ORBITALS
• REACTION KINETICS
• THERMOCHEMISTRY
• LEAST SQUARES METHOD
• EXHAUST PLUMES
• DECOMPOSITION
• TNT
• CHEMICAL LASERS
• ROCKET EXHAUST
• IONIZATION POTENTIALS
• ACTIVATION ENERGY
• HEAT OF FORMATION
• BORON COMPOUNDS
• HARTREE FOCK APPROXIMATION

Subject Categories:

• Atomic and Molecular Physics and Spectroscopy
• Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE