Provides a comprehensive account of the fundamental principles underlying different methods, ranging from the classical to the sophisticated. This book focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. Описание: Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from the classical to the sophisticated. It focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects.

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