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Lecture Notes in Chemistry

Properties of Chemically Interesting Potential Energy Surfaces

Authors: Heidrich, Dietmar, Kliesch, Wolfgang, Quapp, Wolfgang

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  • ISBN 978-3-642-93499-5
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About this book

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.

Table of contents (4 chapters)

Table of contents (4 chapters)
  • GuideLines in the Development of the Theory of Chemical Reactivity Using the Potential Energy Surface (PES) Concept

    Pages 1-30

    Heidrich, D. (et al.)

  • Analysis of Multidimensional Potential Energy Surfaces — Stationary and Critical Points —

    Pages 31-100

    Heidrich, D. (et al.)

  • Analysis of Multidimensional Potential Energy Surfaces — Paths —

    Pages 101-137

    Heidrich, D. (et al.)

  • Quantum Chemical PES Calculations: The Proton Transfer Reactions

    Pages 138-179

    Heidrich, D. (et al.)

Buy this book

eBook $119.00
price for USA in USD (gross)
  • ISBN 978-3-642-93499-5
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $159.00
price for USA in USD
  • ISBN 978-3-540-54286-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Properties of Chemically Interesting Potential Energy Surfaces
Authors
Series Title
Lecture Notes in Chemistry
Series Volume
56
Copyright
1991
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-93499-5
DOI
10.1007/978-3-642-93499-5
Softcover ISBN
978-3-540-54286-5
Series ISSN
0342-4901
Edition Number
1
Number of Pages
VIII, 183
Number of Illustrations
45 b/w illustrations
Topics