Theoretical Studies in Molecular Fragmentation: Processes, Energetics and Diagnostics.

Abstract

Calculations of excited state potential energy curves and radiative lifetimes of CO and NH have been carried out in order to provide diagnostic data with which to identify and quantify the presence of product fragments resulting from the rapid decomposition of energetic materials. Large scale configuration interaction wavefunctions have been employed to obtain a high level of accuracy which will complement experimental spectroscopic measurements. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Sep 06, 1984
Accession Number
ADA146310

Entities

People

  • K. P. Kirby

Organizations

  • Smithsonian Astrophysical Observatory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Atoms
  • Band Spectra
  • Chemistry
  • Computational Chemistry
  • Dipole Moments
  • Dissociation
  • Electronic States
  • Energetic Materials
  • Energy
  • Excitation
  • First Principles Calculations
  • Ground State
  • Military Research
  • Observatories
  • Potential Energy
  • Symmetry
  • Wave Functions

Fields of Study

  • Physics

Readers

  • Molecular Photonics/Laser Physics