Energy and Chemical Change

Abstract

The algebraic approach to the structure and dynamics of molecules has been applied in a number of ways: The ability to compute the spectra of energy- rich molecules has been demonstrated. Broad gateway states have been examined for vibrationally excited molecules. A link between the intramolecular dynamics and the statistical analysis of spectra has been established. The underlying potential energy has been determined directly from the observed spectra. The intramolecular dynamics of vibrationally excited acetylene has been studied and the spectral signatures of vibrational energy pathways have been examined.

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Document Details

Document Type
Technical Report
Publication Date
Nov 27, 1988
Accession Number
ADA206595

Entities

People

  • J. L. Kinsey
  • R. D. Levine

Organizations

  • Massachusetts Institute of Technology

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Air Force
  • Chemical Reactions
  • Chemistry
  • Desorption
  • Energy
  • Energy Transfer
  • Equations Of Motion
  • Frequency
  • Molecular Dynamics
  • Molecules
  • Physics
  • Polyatomic Molecules
  • Potential Energy
  • Quantum Chemistry
  • Spectra
  • Statistical Analysis
  • Vibrational Spectra

Fields of Study

  • Chemistry
  • Physics

Readers

  • Computational Modeling and Simulation
  • Quantum Chemistry