D. Bonchev

Chemical Graph Theory (eBook, PDF)

Introduction and Fundamentals

• Format: PDF

Produktbeschreibung

This volume presents the fundamentals of graph theory and discusses specific chemical applications, providing a historical setting for the current interest in chemical graph theory and a background of the basic ideas and mathematical formalism of graph theory.

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Produktdetails

• Verlag: Taylor & Francis
• Seitenzahl: 300
• Erscheinungstermin: 11. Mai 2018
• Englisch
• ISBN-13: 9781351461603
• Artikelnr.: 56833278

Autorenporträt

Bonchev\, D

Inhaltsangabe

1. THE ORIGINS OF CHEMICAL GRAPH THEORY/Dennis H. Rouvray
1. Introduction
2. The first Use of Chemical Graphs
3. The Emergence of Structure Theory
4. The Concept of Valence
5. The Growth of Chemical Graph Theory
6. Isomer Enumeration Techniques
7. Early Additivity Studies
8. The Introduction of Topological Indices
9. Elementary Bonding Theory
10. Conclusion
11. References
2. ELEMENTS OF GRAPH THEORY FOR CHEMISTS/Oskar E. Polansky
1. What is a Graph and What Kinds of Graph Exist?
2. Some Graph
theoretical Terms
3. Connectedness of Graphs
4. Partitioning of a Graph
5. Planarity of Graphs
6. Line Graphs
7. Operations on Graphs
8. The Autolllorphism Group of a Graph
9. Matrix Representation and Eigenvalue Problems of Undirected Graphs
10. The Matrix Representation of Digraphs
11. Distances in Graphs and Digraphs
12. Metric and Topological Spaces for Simple Graphs
13. Graphs in Quantum Chemistry
14. Weighted Graphs
15. Bibliography
Acknowledgment
3. NOMENCLATURE OF CHEMICAL COMPOUNDS/Alan L. Goodson
1. Introduction
2. Development of Chemical Nomenclature
3. Development of Olemical Line Notations
4. Development of Graph Theory
5. Application of Graph Theory Olemical Nomenclature
6. Summary
7. References and Notes
4. POLYNOMIALS IN GRAPH THEORY/Ivan Gutman
1. Why Polynomials in Graph Theory?
2. On Olemical Applications of Graphic Polynomials
3. Polynomials
4. The Characteristic Polynomial
5. The Matching Polynomial
6. More Graphic Polynomials
7. References
5. ENUMERATION OF ISOMERS/Alexandru T. Balaban
1. Introduction
2. Definitions and Mathematical Background
3. Historical
4. Polya 's Theorem
s. Generalized Polya Theorem
6. Ruch's Double Coset Formalism
7. De Bruijn
Harary
Palmer Power Group Theory
8. Valence Isomers
9. Polyhexes
10. Diamond Hydrocarbons and Staggered Alkane Rotamers
11. Diastereomeric Annulenes
12. Isomers and Compucer Programs for Their Generation
13. Isomerism and Reaction Graphs
14. Conclusion
References
6 GRAPH THEORY AND MOLECULAR ORBITALS/Nenad TrlnajstiC
1. Introduction
2. Elements of Graph Spe:cttal Theory
3. The Essence of Hilckel Theory
4. Isomorphism of Hilckel Theory and Graph Spe:cttal Theory
s. The Spectrum of a Hilckel Graph
6. The Number Non
bonding Molecular Orbitals
7. Totalx
Electton Energy
8. Topological Resonance Energy
9. Concluding Remarks
10. References
INDEX.