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Taschenbuch. Zustand: Neu. Graph Theoretical Approaches to Chemical Reactivity | Danail D. Bonchev (u. a.) | Taschenbuch | xi | Englisch | 2012 | Springer | EAN 9789401045261 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
Taschenbuch. Zustand: 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.
Sprache: Englisch
Verlag: Springer Netherlands, Springer Netherlands, 1994
ISBN 10: 079232837X ISBN 13: 9780792328377
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Buch. Zustand: 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.
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Sprache: Englisch
Verlag: Taylor & Francis Ltd Jan 2003, 2003
ISBN 10: 041528791X ISBN 13: 9780415287913
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Buch. Zustand: Neu. Neuware - This volume covers the rapidly developing field of complexity studies with the underlying theme that complexity is to be found everywhere. The volume discusses many chemical applications and offers a comprehensive coverage of complexity and the ways in which it may be measured, complexity indices, complexity measures based on Shannon's information theory, and thermodynamic complexity. Complexity: Introduction and Fundamentals provides a valuable source of reference for graduates and researchers for mathematical chemistry.
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Verlag: CRC Press, 2003
ISBN 10: 041528791X ISBN 13: 9780415287913
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In den WarenkorbGebunden. Zustand: New. D.G. Bonchev, D.H. RouvrayThis volume covers the rapidly developing field of complexity studies with the underlying theme that complexity is to be found everywhere. The volume discusses many chemical applications and offers a comprehensive coverage of c.