Molecular Modeling of Inorganic Compounds

An introduction to the field of molecular modelling of inorganic compounds, which should be of interest to medicinal, inorganic, co-ordination and theoretical chemists. The book provides reliable calculations of stereo-selective interactions of metal complexes with biomolecules.

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This text shows how the method of molecular modelling can be successfully applied to inorganic and co-ordination compounds. In the first part, a general introduction to molecular modelling is given, which should be of use to 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 modelling metal complexes. In the third part, the reader is instructed in how to apply molecular modelling to a new system. The authors take special care to highlight the possible pitfalls and offer advice on how to avoid them.