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" Chemical Graph Theory : "
D Bonchev
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BL
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| Record Number
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749122
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| Doc. No
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b569080
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| Main Entry
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D Bonchev
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| Title & Author
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Chemical Graph Theory : : Introduction and Fundamentals.\ D Bonchev
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| Publication Statement
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London : Routledge, 2018
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| Series Statement
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Mathematical chemistry, v. 1.
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| Page. NO
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(301 pages)
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| ISBN
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1351461591
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: 1351461605
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: 9781351461597
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: 9781351461603
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| Notes
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10. ReferencesINDEX
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| Contents
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Cover; Half Title; Title Page; Copyright Page; Table of Contents; INTRODUCTION TO THE SERIES; PREFACE; 1: THE ORIGINS OF CHEMICAL GRAPH THEORY; 1. Introduction; 2. The First Use of Chemical Graphs; 3. The Emergence of Structure Theory; 4. The Concqit of Valence; 5. The Growth of Chemical Gn^h 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; 1. What is a Graph and What Kinds of Graph Exist?; 2. Some Graph-theoretical Terms 3. Connectedness of Graphs4. Partitioning of a Grtqrh; 5. Planarity of Graphs; 6. Line Graphs; 7. Operations on Graphs; 8. The Automorphism Group of a Graph; 9. Matrix Rqrresentation 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; 14. Weighted Graphs; 13. Graphs in Quantum Chemistry; 15. Bibliography; Acknowledgment; 3: NOMENCLATURE OF CHEMICAL COMPOUNDS; 1. Introduction; 2. Development of Chemical Nomenclature; 3. Development of Chemical Line Notations 4. Development of Graph Theory5. Application of Gaph Theory to Chemical Notnenclatiue; 6. Summary; 7. References and Notes; 4: POLYNOMIALS IN GRAPH THEORY; 1. Why Polynomials in Graph Theory?; 2. On Chemical Ai^lications of Graphic Polynomials; 3. Polynomials; 4. The Characteristic Polynomial; 5. The Matching Polynomial; 6. More Graphic Polynomials; 7. References; 5: ENUMERATION OF ISOMERS; 1. Introduction; 2. Definitions and Mathematical Background; 3. Historical; 4. Pólya's Theorem; 5. Generalized Pólya Theorem; 6. Ruch's Double Coset Formalism; 7. De Bruijn-Harary-Palmer Power Group Theory 8. Valence Isomers9. Polyhexes; 10. Diamond Hydrocarbons and Staggered Alkane Rotamers; 11. Diastereomeric Annulenes; 12. Isomers and Computer Programs for Their Generation; 13. Isomerism and Reaction Graphs; 14. Conclusion; References; 6: GRAPH THEORY AND MOLECULAR ORBITALS; 1. Introduction; 2. Elements of Graph Spectral Theory; 3. The Essence of HUckel Theory; 4. Isomorphism of Htlckel Theory and Grtqrh Spectral Theory; 5. The Spectrum of a Hiickel Graph; 6. The Number Non-bonding Molecular Orbitals; 7. Total Pi-Electron Energy; 8. Topological Resonance Energy; 9. Concluding Remarks
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| Subject
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Chemistry -- Mathematics.
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Graph theory.
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| Subject
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Graphentheorie
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| LC Classification
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QD39.3.G73D366 2018
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| Added Entry
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A T Balaban
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D E Polansky
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D H Rouvray
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D Bonchev
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Nenad Trinajstic
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