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English
Oxford University Press
31 January 2013
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.
By:  
Imprint:   Oxford University Press
Country of Publication:   United Kingdom
Edition:   2nd Revised edition
Dimensions:   Height: 253mm,  Width: 175mm,  Spine: 22mm
Weight:   866g
ISBN:   9780199672394
ISBN 10:   0199672393
Pages:   352
Publication Date:  
Audience:   College/higher education ,  Further / Higher Education
Format:   Hardback
Publisher's Status:   Active
1: Introduction 2: Molecules in Electric Fields 3: Electrostatic Interactions between Molecules 4: Perturbation Theory of Intermolecular Forces at Long Range 5: Ab Initio Methods 6: Perturbation Theory of Intermolecular Forces at Short Range 7: Distributed Multipole Expansions 8: Short-Range Effects 9: Distributed Polarizabilities 10: Many-body Effects 11: Interactions Involving Excited States 12: Practical Models for Intermolecular Potentials 13: Theory and Experiment Appendix A Cartesian Tensors Appendix B Spherical Tensors Appendix C Introduction to Perturbation Theory Appendix D Conversion Factors Appendix E Cartesian-Spherical Conversion Tables Appendix F Interaction Functions

Anthony Stone, Emeritus Professor of Theoretical Chemistry, University of Cambridge, studied at the University of Cambridge, and after a short period in the United States took up a teaching and research position at Cambridge, where he has remained. He retired in 2006.

Reviews for The Theory of Intermolecular Forces

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 * The precise writing will ensure that this book remains the standard text and reference in the field for postraduate students and researchers for years to come. This is a really useful update, with much new information built up over the last 20 years, to make an already very useful book into a 'must have' for any computational chemist. * Matt Probert, Contemporary Physics *


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