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The Theory of Intermolecular Forces - Tapa dura

Stone, Anthony

 
9780199672394: The Theory of Intermolecular Forces
Tapa dura
ISBN 10: 0199672393 ISBN 13: 9780199672394
Editorial: Oxford University Press (UK), 2012

Sinopsis

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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Acerca del autor

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.


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Editorial
Oxford University Press (UK)
Año de publicación
2012
Idioma
Inglés
ISBN 10 
0199672393
ISBN 13 
9780199672394
Encuadernación
Tapa dura
Número de edición
2
Número de páginas
356
Contacto del fabricante
no disponible
Persona responsable
gpsr@libri.de
gpsr@libri.de

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