Graph Theoretical Approaches to Chemical Reactivity by Danail D Bonchev

Graph Theoretical Approaches to Chemical Reactivity by Danail D Bonchev

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.

SKU	Nicht verfügbar
ISBN 13	9789401045261
ISBN 10	9401045267
Titel	Graph Theoretical Approaches to Chemical Reactivity
Autor	Danail D Bonchev
Serie	Understanding Chemical Reactivity
Buchzustand	Nicht verfügbar
Bindungsart	Paperback
Verlag	Springer
Erscheinungsjahr	2012-10-11
Seitenanzahl	283
Hinweis auf dem Einband	Die Abbildung des Buches dient nur Illustrationszwecken, die tatsächliche Bindung, das Cover und die Auflage können sich davon unterscheiden.
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