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  • Book
  • © 1991

Properties of Chemically Interesting Potential Energy Surfaces

Authors:

  1. D. Heidrich

    1. Sektion Chemie, Universität Leipzig, Leipzig, Deutschland

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  2. W. Kliesch

    1. Sektion Mathematik, Universität Leipzig, Leipzig, Deutschland

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    You can also search for this author in PubMed   Google Scholar

  3. W. Quapp

    1. Sektion Mathematik, Universität Leipzig, Leipzig, Deutschland

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

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Table of contents (4 chapters)

  1. Front Matter

    Pages I-VIII
    PDF

  4. Analysis of Multidimensional Potential Energy Surfaces — Paths —

    • D. Heidrich, W. Kliesch, W. Quapp
    Pages 101-137

  5. Quantum Chemical PES Calculations: The Proton Transfer Reactions

    • D. Heidrich, W. Kliesch, W. Quapp
    Pages 138-179

  6. Back Matter

    Pages 180-188
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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.
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Keywords

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Authors and Affiliations

  • Sektion Chemie, Universität Leipzig, Leipzig, Deutschland

    D. Heidrich

  • Sektion Mathematik, Universität Leipzig, Leipzig, Deutschland

    W. Kliesch, W. Quapp

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Bibliographic Information

  • Book Title: Properties of Chemically Interesting Potential Energy Surfaces

  • Authors: D. Heidrich, W. Kliesch, W. Quapp

  • Series Title: Lecture Notes in Chemistry

  • DOI: https://doi.org/10.1007/978-3-642-93499-5

  • Publisher: Springer Berlin, Heidelberg

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer-Verlag Berlin Heidelberg 1991

  • Softcover ISBN: 978-3-540-54286-5Published: 07 August 1991

  • eBook ISBN: 978-3-642-93499-5Published: 06 December 2012

  • Series ISSN: 0342-4901

  • Series E-ISSN: 2192-6603

  • Edition Number: 1

  • Number of Pages: VIII, 183

  • Number of Illustrations: 45 b/w illustrations

  • Topics: Theoretical and Computational Chemistry, Physical Chemistry

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Buy it now

eBook USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

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