Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others: A Guide for Material Scientists, Chemists, Physicists and Others

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9783527314102: Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and others: A Guide for Material Scientists, Chemists, Physicists and Others
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"...an excellent desktop reference source for students and researchers who use, or are looking to use, computational approaches to study the solid state. It is well organized, with just enough detail to provide insight into various techniques and applications...The monograph also comes at an appropriate time, for as computational methods become accessible to many different researchers, an understanding and assessment of the strengths and weaknesses of the various models is needed." Angewandte Chemie "A unique strength of the book is that the author presents the various methods from the context of problem-solving, with a fairly neutral perspective of the relative merits of each method. The book is highly readable and accessible for nonexperts and, along with other texts as noted above, should greatly enhance the training of anyone in this field." J. AM. CHEM. SOC.

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This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for non-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.

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Richard Dronskowski
Verlag: Wiley VCH Verlag Gmbh Nov 2005 (2005)
ISBN 10: 3527314105 ISBN 13: 9783527314102
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Buchbeschreibung Wiley VCH Verlag Gmbh Nov 2005, 2005. Buch. Buchzustand: Neu. 240x170x23 mm. Neuware - Describing solid state materials with computational and theoretical models is now an important tool for solid state chemists, making it possible to gain an insight into electronic and magnetic structure, as well as chemical bonding. In addition, chemists are now able to make a prediction about materials that are yet to be synthesized, such that a systematic and successful synthesis of new materials with specific properties and attributes is possible. This is the first book to present both classical practical approaches as well as practical quantum-chemical approaches, incorporating the many new methods developed over the last few years. Written especially for 'non'-theoretical readers in a very comprehensible and readily implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on that which is important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for theoretical and solid state chemists, physicochemists, crystallographers and materials scientists, wishing to improve their work in solid state research by using computational methods. 294 pp. Englisch. Artikel-Nr. 9783527314102

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