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© 1978

Selected Topics of the Theory of Chemical Elementary Processes

Textbook

Part of the Lecture Notes in Chemistry book series (LNC, volume 8)

Table of contents

  1. Front Matter
    Pages I-IX
  2. Evgueni E. Nikitin, Lutz Zülicke
    Pages 1-5
  3. Evgueni E. Nikitin, Lutz Zülicke
    Pages 6-31
  4. Back Matter
    Pages 161-175

About this book

Introduction

Introduction 1 1. 2. Basic Concepts and Phenomenological Description 6 2.1. Separation of the Center-of-Mass Motion 8 2.2. Separation of Electronic and Nuclear Motions. Interaction Potentials (Potential-Energy Surfaces) 11 2.2.1. Heuristic Considerations 11 2.2.2. Born-Oppenheimer Separation. Adiabatic Approximation, 16 Present State of Potential-Energy-Burface 2.2.3. Calculations 23 2.3. Scattering Channels ~6 2.4. Classification of Elementary Processes. Microscopic Mechanism 27 D.ynamics of Atomic and Molecular Collisions: 3. Electronically Adiabatic Processes 32 Classical Approach 3.1. 33 Some Arguments for the Reliability of the Classical Approach 33 Atom-Atom Collisions. Elastic Scattering 34 Quasiclassical Treatment of Elementary Processes in Triatomic Systems: Inelastic and Reactive Scattering 44 IV Examples of Results of Trajectory Calculations 59 3.1.4. 64 Elements of Quantum-Mechanical Methods 3.2. Correspondence of Classical and Quantum­ 3.2.1. 64 Mechanical Theories Time-Dependent Scattering Theory 71 3.2.2. Stationary Scattering Theory 77 3.2.3. One-Dimensional Scattering 78 3.2.3.1 • Three-Dimensional Elastic Scattering 83 3.2.3.2. Rearrangement Scattering (Reactions) 85 3.2.3.3. Examples of Quantum-Mechanical Calculations 3.2.4.

Keywords

Atom Chemische Reaktion Molekularer Stoss Quantenchemie action potential chemical reaction classification collision dynamics elastic scattering energy quantum chemistry reactions scattering theory symmetry

Authors and affiliations

  1. 1.Institute of Chemical PhysicsAcademy of Sciences of U.S.S.R.MoscowU.S.S.R.
  2. 2.Central Institute of Physical ChemistryAcademy of Sciences of G.D.R.Berlin-AdlershofG.D.R.

Bibliographic information

  • Book Title Selected Topics of the Theory of Chemical Elementary Processes
  • Authors E.E. Nikitin
    L. Zülicke
  • Series Title Lecture Notes in Chemistry
  • DOI https://doi.org/10.1007/978-3-642-93087-4
  • Copyright Information Springer-Verlag Berlin Heidelberg 1978
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Softcover ISBN 978-3-540-08768-7
  • eBook ISBN 978-3-642-93087-4
  • Series ISSN 0342-4901
  • Edition Number 1
  • Number of Pages X, 176
  • Number of Illustrations 0 b/w illustrations, 0 illustrations in colour
  • Topics Physical Chemistry
    Theoretical and Computational Chemistry
  • Buy this book on publisher's site
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