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Properties of Chemically Interesting Potential Energy Surfaces

  • D. Heidrich
  • W. Kliesch
  • W. Quapp

Part of the Lecture Notes in Chemistry book series (LNC, volume 56)

Table of contents

  1. Front Matter
    Pages I-VIII
  2. D. Heidrich, W. Kliesch, W. Quapp
    Pages 101-137
  3. D. Heidrich, W. Kliesch, W. Quapp
    Pages 138-179
  4. Back Matter
    Pages 180-188

About this book

Introduction

Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path definitions. The book presents a simple mathematical analysis of stationary and critical points of the PES. It provides tools for studying chemical reactions by calculating reaction paths and related curves. A further aspect of the book is the dependence of PES properties on approximations used for the analysis. Recent quantum chemical calculations, particularly of single proton transfer processes, and experimental data are compared. The book addresses students and researchers in Theoretical Chemistry, Chemical Kinetics and related fields.

Keywords

Hyperfläche Reaktionskinetik Theoretische Chemie chemical reaction kinetics quantum chemistry theoretical chemistry

Authors and affiliations

  • D. Heidrich
    • 1
  • W. Kliesch
    • 2
  • W. Quapp
    • 2
  1. 1.Sektion ChemieUniversität LeipzigLeipzigDeutschland
  2. 2.Sektion MathematikUniversität LeipzigLeipzigDeutschland

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-93499-5
  • Copyright Information Springer-Verlag Berlin Heidelberg 1991
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-54286-5
  • Online ISBN 978-3-642-93499-5
  • Series Print ISSN 0342-4901
  • Series Online ISSN 2192-6603
  • Buy this book on publisher's site