Environmental Effects on High Energy Density Materials.

Abstract

The object of this research is to characterize, using ab initio quantum mechanical methods, the stabilizing or destabilizing effects of hydrogen and/or oxygen matrices on proposed high energy density molecular (HEDM) systems. In addition, the unimolecular fragmentation reactions of large HEDM species such as N20 will be studied via density functional methods.

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 1996
Accession Number
ADA317199

Entities

People

  • Henry F. Schaefer

Organizations

  • University of Georgia Research Foundation

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Chemistry
  • Computational Chemistry
  • Energy
  • Fragmentation
  • Frequency
  • High Energy
  • Information Operations
  • Infrared Spectroscopy
  • Isomers
  • Materials
  • Nitrogen Oxides
  • Oxygen
  • Potential Energy
  • Quantum Chemistry
  • Structural Isomers
  • Students

Fields of Study

  • Physics

Readers

  • Combustion science or combustion engineering.
  • Computational Modeling and Simulation
  • Molecular Photonics/Laser Physics

Technology Areas

  • Quantum Computing