Theoretical Studies of the Chemical Dynamics of Unimolecular Processes
Abstract
The purpose of this research program was to develop computational methods and carry out calculations to investigate the chemical dynamics of large molecules of interest as energetic materials. Classical dynamics studies were made of the intramolecular vibrational energy redistribution and unimolecular reactions in a wide variety of polyatomic molecules, including benzene, toluene, dimethylnitramine, hydrogen peroxide, HONO, and methyl nitrite. These studies are described in this report.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 19, 1988
- Accession Number
- ADA198795
Entities
People
- Donald L. Thompson
Organizations
- Oklahoma State University–Stillwater