Graph Theoretical Approaches to Chemical Reactivity (Hardcover, Reprinted From)

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.

General

Imprint:	Springer
Country of origin:	Netherlands
Series:	Understanding Chemical Reactivity, 9
Release date:	June 1994
First published:	1994
Editors:	Danail D Bonchev • O. G. Mekenyan
Dimensions:	244 x 170 x 17mm (L x W x T)
Format:	Hardcover
Pages:	283
Edition:	Reprinted From
ISBN-13:	978-0-7923-2837-7
Categories:	Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
LSN:	0-7923-2837-X
Barcode:	9780792328377

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