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Computational Chemistry: Introduction to the Theory and Applications of Molecular Andquantum Mechanics

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  • Computational alignment has emerge as painfully capital in thelast decade, being widely used in academic and industrial research.Yet masterly have been few books designed to teach the subject tononspecialists. Computational Chemistry: Introduction to the Theory andApplications of Molecular and Quantum Mechanics is aninvaluable tool for teaching and researchers alike. The book providesan overview of the field, explains the basic underlying theory at ameaningful level that is not beyond beginners, and it gives numerouscomparisons of different methods with one another and with experiment.The following concepts are illustrated and their possibilities andlimitations are given: Topics are placed in a historical context, adding interest to them andremoving much of their apparently arbitrary aspect. The large numberof references, to all significant topics mentioned, should make thisbook useful not only to undergraduates but also to graduate studentsand academic and industrial researchers..

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