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Mathematical Concepts in Organic Chemistry

  • Textbook
  • © 1986

Overview

Authors:
  1. Ivan Gutman

    1. Faculty of Science, Kragujevac, Serbia

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  2. Oskar E. Polansky

    1. Max-Planck-Institut für Strahlenchemie, Mülheim a. d. Ruhr, Germany

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Table of contents (14 chapters)

  1. Front Matter

    Pages I-X
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  2. Introduction

    1. Introduction

      • Ivan Gutman, Oskar E. Polansky
      Pages 1-2

  3. Chemistry and Topology

    1. Front Matter

      Pages 3-3
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    2. Topological Aspects in Chemistry

      • Ivan Gutman, Oskar E. Polansky
      Pages 5-11

    3. Molecular Topology

      • Ivan Gutman, Oskar E. Polansky
      Pages 12-16

  4. Chemistry and Graph Theory

    1. Front Matter

      Pages 17-17
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    2. Chemical Graphs

      • Ivan Gutman, Oskar E. Polansky
      Pages 19-22

    3. Fundamentals of Graph Theory

      • Ivan Gutman, Oskar E. Polansky
      Pages 23-41

    4. Graph Theory and Molecular Orbitals

      • Ivan Gutman, Oskar E. Polansky
      Pages 42-45

    5. Special Molecular Graphs

      • Ivan Gutman, Oskar E. Polansky
      Pages 46-66

  5. Chemistry and Group Theory

    1. Front Matter

      Pages 67-67
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    2. Fundamentals of Group Theory

      • Ivan Gutman, Oskar E. Polansky
      Pages 69-84

    3. Symmetry Groups

      • Ivan Gutman, Oskar E. Polansky
      Pages 85-107

    4. Automorphism Groups

      • Ivan Gutman, Oskar E. Polansky
      Pages 108-116

    5. Some Interrelations between Symmetry and Automorphism Groups

      • Ivan Gutman, Oskar E. Polansky
      Pages 117-120

  6. Special Topics

    1. Front Matter

      Pages 121-121
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    2. Topological Indices

      • Ivan Gutman, Oskar E. Polansky
      Pages 123-134

    3. Thermodynamic Stability of Conjugated Molecules

      • Ivan Gutman, Oskar E. Polansky
      Pages 135-154

    4. Topological Effect on Molecular Orbitals

      • Ivan Gutman, Oskar E. Polansky
      Pages 155-168

  7. Back Matter

    Pages 169-214
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Keywords

About this book

The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe­ matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe­ matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book.

Authors and Affiliations

  • Faculty of Science, Kragujevac, Serbia

    Ivan Gutman

  • Max-Planck-Institut für Strahlenchemie, Mülheim a. d. Ruhr, Germany

    Oskar E. Polansky

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