Structural and Dynamic Considerations in Molecular Collision Theory.

Abstract

Work under this Contract has been initiated in several directions. In one major and one minor projects there has been sufficient progress to warrant publication. These are discussed below and detailed accounts are enclosed. Two additional projects which appear promising require additional work and are only mentioned here (under (c) below) as a preliminary account. (a) A theoretical framework for the interpretation of structural effects in reactive molecular collisions has been formulated. (b) An exact information theoretic solution to the problem of a collinear collision of an atom with a Morse type (i.e. anharmonic) oscillator has been provided. (c) Preliminary work has been carried out on the question of the exact definition of a 'prior' expection for the overall magnitude of the rate constant. Such a definition is particularly relevant to eletronic excitation processes because of the large differences in the available energy that can occur between the different reaction products.

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Document Details

Document Type
Technical Report
Publication Date
Aug 31, 1978
Accession Number
ADA065531

Entities

People

  • C. Bradley Moore
  • R. D. Levine

Organizations

  • University of California, Berkeley

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Reactions
  • Chemistry
  • Computational Chemistry
  • Computational Science
  • Construction
  • Energy
  • Energy Transfer
  • Equations
  • Equations Of Motion
  • Free Energy
  • Heat Energy
  • Kinetics
  • Molecular Mechanics Methods
  • Physical Chemistry
  • Potential Energy
  • Quantum States
  • Statistical Mechanics

Readers

  • Calculus or Mathematical Analysis
  • Molecular Photonics/Laser Physics
  • Systems Analysis and Design