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Graph Theoretical Approaches to Chemical Reactivity: 9 (Understanding Chemical Reactivity, 9) - Hardcover
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This is the first book to concentrate on elucidating chemical reactivity from the viewpoint of molecular topology. It describes the most fundamental structural patterns in molecules, topology and graph theory which are regarded to be the ideal tools for exploring the relationships between the structure and the properties of chemical compounds. A team of internationally recognized experts from seven countries present a variety of graph-theoretical and topological approaches to chemical reactivity.The specific topics covered include among others, the latest developments in the interplay between graph theory and molecular orbital theory, three dimensional molecular shapes and their changes, isomerization reactions in organic and inorganic chemistry, topological indices and their application to structure-reactivity relationships and mechanistic studies. Useful topology-based reactivity rules and more general principles controlling topology changes in chemical reactions are also presented. It is intended for researchers, teachers and students in all areas of chemistry.
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- PublisherSpringer
- Publication date1994
- ISBN 10 079232837X
- ISBN 13 9780792328377
- BindingHardcover
- Number of pages294
- EditorBonchev Danail D., Mekenyan O.G.
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Graph Theoretical Approaches to Chemical Reactivity
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Springer Netherlands Jun 1994, 1994
ISBN 10: 079232837X
ISBN 13: 9780792328377
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Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future. 300 pp. Englisch. Seller Inventory # 9780792328377
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Gebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic. Seller Inventory # 5967105
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Buch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future. Seller Inventory # 9780792328377
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