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The Theory of Intermolecular Forces (Hardcover, 2nd Revised edition)
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The Theory of Intermolecular Forces (Hardcover, 2nd Revised edition)
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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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