Description
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.
