Fundamental Studies of Oxygen Rings and Other High Energy Density Molecular Systems.

Abstract

The object of this research is to characterize the energetics, spectroscopic properties, and elementary chemical reactions (including unimolecular reactions) of the oxygen ring molecules O4 and O12 and related species. The approach used will exploit recent developments in ab initio molecular quantum mechanics. In a collaborative effort with ongoing experimentat research to identify and synthesize high energy density molecules, excited electronic states and positive ions of these species will be studied. (jg)

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Document Details

Document Type
Technical Report
Publication Date
Nov 15, 1994
Accession Number
ADA290875

Entities

People

  • Henry F. Schaefer

Organizations

  • University of Georgia Research Foundation

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Chemical Analysis
  • Chemical Compounds
  • Chemical Reactants
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Computational Chemistry
  • Crystal Structure
  • Electronic Structure Theory
  • First Principles Calculations
  • Ionization
  • Molecular Orbital Theory
  • Molecular Physics
  • Organic Chemistry
  • Quantum Mechanics

Fields of Study

  • Physics

Readers

  • Defense Technology Research and Development.
  • Molecular Photonics/Laser Physics
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Quantum Computing