Prediction of Oxidation Half-Wave Potentials by MNDO Calculations.

Abstract

The MNDO method has been applied for the prediction of oxidation half-wave potentials of a series of aromatic compounds. A linear relation between HOMO energies and E1/2 in N-alkylpyridinium chloroaluminate melts was demonstrated. (Author)

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Document Details

Document Type
Technical Report
Publication Date
May 01, 1980
Accession Number
ADA085779

Entities

People

  • C. L. Hussey
  • J. S. Wilkes
  • L. A. King
  • L. P. Davis

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Acetonitrile
  • Air Force
  • Aromatic Compounds
  • Biphenyl
  • Chemistry
  • Chlorides
  • Electrodes
  • Electron Acceptors
  • Equations
  • Ionization
  • Molecules
  • Nitriles
  • Oxidation
  • Security
  • United States
  • United States Air Force Academy

Fields of Study

  • Chemistry

Readers

  • Organic Chemistry
  • Quantum Chemistry
  • Structural Dynamics.