Molecular Modeling

Molecular Modeling

Author(s): Prof. Dr. Peter Comba, Dr. Trevor W. Hambley

Published Online: 20 DEC 2007

Print ISBN: 9783527290765

Online ISBN: 9783527615292

DOI: 10.1002/9783527615292

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In many branches of chemistry, Molecular Modeling is a well-established and powerful tool when complex structures are investigated. This book shows how the method 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 and the approaches being taken to dealing with some of the difficulties encountered in modeling metal complexes. In the third part, the reader is instructed how to apply Molecular Modeling to a new system. The authors take special care to highlight the possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable for everyone working in or entering the field.

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