Reviews in Computational Chemistry

Reviews in Computational Chemistry

by Thomas R. Cundari
     
 

The first three of the six chapters in this volume are tutorials for the novice chemist on valence bond theory, modeling spin-forbidden reactions, and calculating the electronic spectra of large molecules. The remaining contributions review the computational techniques used in simulating chemical waves and patterns, the application of fuzzy soft computing methods to… See more details below

Overview

The first three of the six chapters in this volume are tutorials for the novice chemist on valence bond theory, modeling spin-forbidden reactions, and calculating the electronic spectra of large molecules. The remaining contributions review the computational techniques used in simulating chemical waves and patterns, the application of fuzzy soft computing methods to chemistry, and the current status of drug absorption, metabolism, distribution, excretion, and toxicology (ADME/Tox) models for several intensely studied proteins. Annotation ©2004 Book News, Inc., Portland, OR

Product Details

ISBN-13:
9781560815150
Publisher:
Wiley, John & Sons, Incorporated
Publication date:
08/01/1991
Pages:
520

Meet the Author

Kenny B. Lipkowitz and Raima Larter are Professors of Chemistry at Indiana University - Purdue University at Indianapolis. Tom Cundari is Professor of Chemistry at the University of Memphis.

Table of Contents

1Protein structure classification1
2Comparative protein modeling57
3Simulations of protein folding169
4The simulation of ionic charge transport in biological ion channels : an introduction to numerical methods229
5Wavelets in chemistry and chemoinformatics295

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