Molecular Modeling of Inorganic Compounds - Hardcover

Comba, Peter; Hambley, Trevor W.

Hardcover

ISBN 10: 3527299157 ISBN 13: 9783527299157

Publisher: Wiley-VCH, 2001

Synopsis

In many branches of chemistry, Molecular Modeling is a well-established and powerful tool for the investigation of complex structures. The second completely revised and enlarged edition of this highly recognized book shows how this method can be successfully applied to inorganic and coordination compounds.
The first part of the book gives a general introduction to Molecular Modeling, which will be of use for chemists in all areas. The second part discusses numerous carefully selected examples, chosen to illustrate the wide range of applicability of molecular modeling to metal complexes and the approaches being taken to dealing with some of the difficulties involved. While the general outline is similar to that of the first edition, many of the examples chosen for discussion reflect the changes of the past five years. In the third part, the reader learns how to apply Molecular Modeling to a new system and how to interpret the results. The accompanying software features 20 tutorial lessons based on examples from the literature and the book itself. The authors take special care to highlight possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable to everyone working in or entering the field.

About this title

From the Publisher

This book shows how Molecular Modeling can be successfully applied to inorganic and coordination compounds. Following a general introduction, the reader will find many carefully selected examples and a brief guide on using molecular modeling for solving his or her own problems.

From the Back Cover

In many branches of chemistry, molecular modeling is a well-established and powerful tool for the investigation of complex structures. This book shows how the method has been and can be successfully applied to inorganic and coordination compounds.
In the first part a general introduction to molecular modeling is given which will be of use for chemists in all areas. The second part contains a discussion of many carefully selected examples, chosen to illustrate the wide range of applicability of molecular modeling to metal complexes and the approaches being taken to deal with some of the difficulties encountered. In the third part, the reader is shown how to apply molecular modeling to a new system and how to interpret the results. Using freely available software the reader can work through 20 tutorial lessons, based on examples from the literature and discussed elsewhere in the book.
The authors take special care to highlight the possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable to anyone working in or entering the field.

Edition details

• Publisher: Wiley-VCH
• Publication date: 2001
• Language: English
• ISBN 10: 3527299157
• ISBN 13: 9783527299157
• Binding: Hardcover
• Edition number: 2
• Number of pages: 337