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Advanced molecular dynamics and chemical kinetics

A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions...

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Bibliographic Details
Main Author: Billing, Gert D.
Other Authors: Mikkelsen, Kurt V.
Format: Book
Language:English
Published: New York John Wiley & Sons 1997
Subjects:
Chemical kinetics
Molecular dynamics
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Table of Contents:
  • 1. Introduction
  • 2. Second Quantization
  • 3. Effective Hamiltonian Approaches
  • 4. Semiclassical Theories
  • 5. Wavepacket Propagation
  • 6. Potential Energy Surfaces
  • 7. The Reaction Path Method
  • 8. Variational Transition State Theory
  • 9. Quantum Theory for Rate Constants
  • 10. Statistical and Phase Space Methods
  • 11. Photodissociation
  • 12. Density Operators
  • 13. Evolution of a Total System
  • 14. Nonequilibrium Solvation
  • 15. Molecular Properties of Solvated Molecules
  • 16. Magnetic Properties of Solvated Molecules
  • 17. Quantum Model for Electron Transfer
  • 18. Electron Transfer Coupling Elements
  • 19. Electron Transfer Reactions Coupled to a Quantum Mechanical Radiation Field.

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