Home    Service    Jobs    Newsletter    Company    Productsearch    eBooks    Shopping cart    Deutsch
Area of interest | Chemistry | Computational Chemistry & Molecular Modeling | Available titles | Reviews in Computational Chemistry




WileyOnline Library

Wiley JobNetwork

Wiley STMData

Ernst & Sohn

more >>
Lipkowitz, Kenny B. / Boyd, Donald B. (eds.)
Reviews in Computational Chemistry
Volume 2
Reviews in Computational Chemistry
(Volume 2)

1. Edition August 1991
282.- Euro*
1991. XVI, 528 Pages, Hardcover
91 Fig., 54 Tab. 
- Monograph -
ISBN 978-0-471-18810-0 - John Wiley & Sons

* Series price on request at service@wiley-vch.de

Buy now

E-Books are also available on all known E-Book shops.

Detailed description
This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quantitative structure-activity relationships (QSAR) using topological and electronic descriptors.

A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.

From the contents
A Survey of Methods for Searching thr Conformational Space of Small and Medium-Sized Molecules (A. Leach).

Simplified Models for Understanding and Predicting Protein Structure (J. Troyer and F. Cohen).

Moleculaar Mechanics: The Art and Science of Parameterization (J. Bowen and N. Allinger).

New Approaches to Empirical Force Fields (U. Dinur and A. Hagler).

Calculating the Properties of Hydrogen Bonds by ab Initio Methods (S. Scheiner).

Net Atomic Charge and Multiple Models for the ab Initio Molecular Electric Potential (D. Williams).

Molecular Electrostatic Potentials and Chemical Reactivity (P. Politzer and J. Murray).

Semiempirical Molecular Orbital Methods (M. Zerner).

The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling (L. Hall and L. Kier).

The Electron-Topological Approach to the QSAR Problem (I. Bersuker and A. Dimoglo).

The Computational Chemistry Literature (D. Boyd).

Appendix: Compendium of Software for Molecular Modeling (D. Boyd).

Author Index.

Subject Index.



Tell a friend          RSS Feeds         Print-Version         Sitemap

©2016 Wiley-VCH Verlag GmbH & Co. KGaA - Provider
http://www.wiley-vch.de - mailto: info@wiley-vch.de
Data Protection