Lipkowitz / Boyd Reviews in Computational Chemistry / Reviews in Computational Chemistry, Volume 4

1. Auflage 2009
ISBN: 978-0-470-12608-0
Verlag: John Wiley & Sons
Format: PDF
Kopierschutz: 0 - No protection

E-Book, Englisch, Band 4, 300 Seiten, E-Book

Reihe: Reviews in Computational Chemistry

This volume in the series brings together reknowned experts in thefield to present the reader with an account of the latestdevelopments in quantum mechanics, molecular dynamics, and theteaching of computational chemistry.
There are so many developments in the field of computationalchemistry that it is difficult to keep track of them. The serieswas established to review the high volume of developments in thefield.
Rather than create a traditional article, each author approaches atopic to enable the reader to understand and solve problems andlocate key references quickly. Each article has tutorialvalue.
An updated compendium of software for molecular modeling appears asan appendix as in previous volumes. To the editors' knowledge, thisis the most complete listing of sources of software forcomputational chemistry anywhere.

Autoren/Hrsg.

Lipkowitz, Kenny B.

Boyd, Donald B.

Inhaltsverzeichnis

Aus dem Inhalt:
A Survey of Methods for Searching the Conformational Space of smalland Medium-Sized Molecules/
Simplified Models for Understanding and Predicting ProteinStucture/
Molecular Mechanics: The Art and Science of Parameterization/
Approaches to Empirical Force Fields/
Calcualating the Properties of Hydrogen Bonds by Ab InitioMethods/
Net Atomic Charge and Multipole Models for the Ab Initio MolecularElectric Potential/
Molecular Electrostatic Potentials and Chemical Reactivity/
Semiempirical Molecular Orbital Methods/
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes inStructure-Property Modeling/
The Electron-Topological Approach to the QSAR Problem/
The Computational Chemistry Literature/
Appendix: Compendium of Software for Molecular Modeling