The Theory of Intermolecular Forces
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Product details:
- Edition number 2
- Publisher OUP Oxford
- Date of Publication 1 September 2016
- ISBN 9780198789154
- Binding Paperback
- No. of pages352 pages
- Size 247x170x19 mm
- Weight 620 g
- Language English
- Illustrations 45 b/w line illustrations, 4pp colour plate section 0
Categories
Short description:
The Theory of Intermolecular Forces sets out the mathematical techniques needed to describe and calculate intermolecular interactions in physics and chemistry, and to handle the more elaborate mathematical models used to represent them.
MoreLong description:
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.
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.
Table of Contents:
Introduction
Molecules in Electric Fields
Electrostatic Interactions between Molecules
Perturbation Theory of Intermolecular Forces at Long Range
Ab Initio Methods
Perturbation Theory of Intermolecular Forces at Short Range
Distributed Multipole Expansions
Short-Range Effects
Distributed Polarizabilities
Many-body Effects
Interactions Involving Excited States
Practical Models for Intermolecular Potentials
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
