Chemical graph theory : introduction and fundamentals
著者
書誌事項
Chemical graph theory : introduction and fundamentals
（Mathematical chemistry, v. 1）
Abacus Press, c1991
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
This book provides an introduction to chemical graph theory by treating the fundamentals of the subject and some of its important applications. It is a valuable resource for scientists and mathematicians seeking a detailed account of mathematical techniques to chemistry.
目次
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.
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