Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics / Errol LewarsMaterial type: Book; Format: print Publisher: Boston : Kluwer, 2003Description: X, 471 p. ; 24 cm.ISBN: 1-4020-7422-0.Subject(s): Química -- Proceso de datos | Química computacional
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Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists.Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment.