Molecular Modeling of Inorganic Compounds

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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.