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Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common

Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range o

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models