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.
Publisher: Oxford University Press
Number of pages: 352
Weight: 866 g
Dimensions: 253 x 175 x 22 mm
Edition: 2nd Revised edition
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 *
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.
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 *