Continuum Solvation Models in Chemical Physics

B Mennucci

ISBN 10: 0470029382 / ISBN 13: 9780470029381

Published by John Wiley & Sons, 2007

The modeling of liquids and solutions with computational tools is a very complex problem and many alternative theoretical models and computational algorithms have been proposed to-date. This text picks up on one specific of methods, namely continuum solvati. Seller Inventory # 556553574

Synopsis:

This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.

• Devoted to solvation models in which reviews of the theory, the computational implementation
• Solvation continuum models are treated using the different points of view from experts belonging to different research fields
• Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application
• Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments
• Four-colour representation of the computational modeling throughout.

About the Author:

Benedetta Mennucci and Roberto Cammi are the authors of Continuum Solvation Models in Chemical Physics: From Theory to Applications, published by Wiley.

Bibliographic Details

Title: Continuum Solvation Models in Chemical ...
Publisher: John Wiley & Sons
Publication Date: 2007
Binding: Gebunden
Condition: New