The Theory of Intermolecular Forces

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9780198789154: The Theory of Intermolecular Forces
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Since the time this monograph was first published, there have been major advances in both electronic structure theory and the development of force fields based on accurate electronic structure calculations on model systems. In the new edition Professor Stone has done an outstanding job at including information on recent developments on both of these fronts. In addition, the new edition provides valuable new insights into issues such as the role of charge transfer and charge penetration in intermolecular interactions. (Kenneth D. Jordan, University of Pittsburgh)

Anthony Stone has updated his book to take account of progress in theory and computation during the intervening 16 years. The new edition retains the clear pedagogical nature of the original work and replaces it as an essential and unique source of the theory underlying the details of molecular interactions. (Gabriel G. Balint-Kurti, University of Bristol)

The first edition of this book, published in 1996, has become the standard text and reference in the field of intermolecular forces. The current edition mainly updates the text by describing research published in the intervening years. A comparison of the two editions shows how significant was the progress during this time period, as the text was enlarged by nearly 30%. Thus, with the present extension, the book will certainly be an even more useful reference than before. (Krzysztof Szalewicz, University of Delaware)

The second edition of Stone's The Theory of Intermolecular Forces has been uopdated, revised and extended. The precise writing will ensure that this book remains the standard text and reference in the field of postgraduate students and researchers for years to come. (Elizabeth Page, The Times Higher Education Supplement)

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The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.

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Anthony Stone
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ISBN 10: 0198789157 ISBN 13: 9780198789154
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Descripción Oxford University Press, United Kingdom, 2016. Paperback. Condición: New. 2nd Revised edition. Language: English . Brand New Book. The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed. Nº de ref. del artículo: AOP9780198789154

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Anthony Stone
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Descripción Oxford University Press, United Kingdom, 2016. Paperback. Condición: New. 2nd Revised edition. Language: English . Brand New Book. The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed. Nº de ref. del artículo: AOP9780198789154

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Descripción Oxford University Press, United Kingdom, 2016. Paperback. Condición: New. 2nd Revised edition. Language: English . This book usually ship within 10-15 business days and we will endeavor to dispatch orders quicker than this where possible. Brand New Book. The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed. Nº de ref. del artículo: BTE9780198789154

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