Dynamics of Hydrogen Atom and Proton Transfer Reactions. Nearly Degenerate Asymmetric Case.

Abstract

A method for approximate treatment of collinear H-atom or proton transfer reactions AH + B yields A + HB which involve two nearly degenerate vibrational states is developed. The method is based on constructing a diabatic representation of the problem, i.e., one in which the reactant and the product vibrational states are distinguished as such throughout the collision. The diabatic representation is constructed with the aid of the adiabatic one discussed in an earlier paper. The treatment can also be applied to symmetric exchange reactions in which case it gives results in good agreement with other results. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Sep 09, 1982
Accession Number
ADA119384

Entities

People

  • Rudolph A. Marcus
  • V. Babamov
  • Victor G. Lopez

Organizations

  • California Institute of Technology

Tags

DTIC Thesaurus Topics

  • Accuracy
  • Atoms
  • California
  • Chemical Laboratories
  • Collisions
  • Differential Equations
  • Dynamics
  • Eigenvalues
  • Energy
  • Equations
  • Physics
  • Potential Energy
  • Quantum Numbers
  • Quantum Tunneling
  • Transitions
  • Tunneling
  • Wave Functions

Fields of Study

  • Physics

Readers

  • Quantum Chemistry
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.
  • Technical Research and Report Writing.