Graph Theoretical Approaches to Chemical Reactivity

Language: English

Published by Springer Netherlands, Springer Netherlands Jun 1994, 1994

079232837X / 9780792328377

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This item is printed on demand - Print on Demand Titel. 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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 300 pp. Englisch.

Seller Inventory # 9780792328377

Title
Graph Theoretical Approaches to Chemical Reactivity
Author
O. G. Mekenyan
Publisher
Springer Netherlands, Springer Netherlands Jun 1994
Publication year
1994
Condition
Neu
Binding
Buch
Language
English
ISBN 10
079232837X
ISBN 13
9780792328377
Item weight
617 grams
Dimensions
241x160x21 mm

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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