Theoretical Studies in Molecular Fragmentation: Processes, Energetics and Diagnostics.
Abstract
In order to provide diagnostic data with which to identify and quantify the presence of molecular fragments resulting from the destruction of highly energetic materials, ab initio calculations of excited electronic states and radiative lifetimes of CO and NH were carried out. The calculations involving multi configuration interaction methods, were designed to complement experimental spectroscopic measurements, providing information on electronic potential curves and data at energies which cannot be easily observed in the laboratory. Keywords: Radiative transitions; diatomic fragments; photo destruction; Free radicals.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 27, 1987
- Accession Number
- ADA176432
Entities
People
- Kate P. Kirby
Organizations
- Smithsonian Astrophysical Observatory