Molecular Modelling for Beginners

Molecular modeling is a field of chemistry and materials science which examines molecular phenomenon such as bond breaking, electron spin, and zero-point energy. These are intrinsically quantum mechanical and therefore have to be treated by the laws of quantum mechanics. This book deals with this subject.

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Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject. * Provides a comprehensive introduction to this evolving and developing field * Focuses on MM, MC, and MD with an entire chapter devoted to QSAR and Discovery Chemistry. * Includes many real chemical applications combined with worked problems and solutions provided in each chapter * Ensures that up-to-date treatment of a variety of chemical modeling techniques are introduced.