Shape in Chemistry: An Introduction to Molecular Shape and Topology

by Paul G. Mezey

Overview

'Shape in Chemistry' looks at molecular shape from a unique perspective: It introduces the reader to the topological concepts and methods of precise shape characterization that are applicable for direct, non-visual description and analysis of general molecular shapes. The author provides a pictorial introduction to all the topological tools necessary for the subjects discussed. Mathematical description is also provided at an easily comprehensible level. New concepts are introduced beginning at the familiar level of stereochemistry and lead on to more advanced topological shape analysis methods. The structure of the book reflects the author's desire to bring the reader to an early appreciation of the power of topology in chemistry. After a brief review of the quantum chemical concept, the author compares the merits of visual, computer graphics methods and nonvisual, algorithmic shape analysis methods. The book ends with the concepts of approximate symmetry and various generalizations of symmetry. 'Shape in Chemistry' is surely destined to become standard reading in the field. It presents a valuable addition to the literature on shape and modeling of molecules for non-specialists organic, physical and medical chemists, researchers in various aspects of QSAR and pharmacological drug design and advanced undergraduate and graduate students.

Product Details

ISBN-13:	9780471187417
Publisher:	Wiley
Publication date:	12/17/1996
Pages:	240
Product dimensions:	6.38(w) x 9.53(h) x 0.71(d)

About the Author

Paul G. Mezey is a Hungarian-Canadian mathematical chemist. He was the Canada Research Chair in Scientific Modeling and Simulation in the Department of Chemistry at the Memorial University of Newfoundland. He retired from Memorial University in 2018.

Table of Contents

From the Contents:
The Intuitive Concept of Molecular Shape/
Quantum Chemical Concept/
Applied Topology/
Quantitative Shape/
Symmetry and Approximate Symmetry/
Molecular Bodies, Molecular
Surfaces/
Topological Shape Groups

Editorial Reviews

Presents the topological methods of describing and analyzing shapes, focusing on the three-dimensional shapes of molecules but explaining principles that can be used in others areas of chemistry. At a level accessible to advanced undergraduates in any specialty of chemistry, considers the intuitive and the quantum chemical concept of molecular shape, the quantification of similarity and complementarity, drug design and molecular engineering, and other topics. Annotation c. Book News, Inc., Portland, OR (booknews.com)

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