Reviews in Computational Chemistry / Edition 1

Reviews in Computational Chemistry / Edition 1

by Kenny B. Lipkowitz
     
 

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:
9780471682394
Publisher:
Wiley
Publication date:
04/01/2005
Series:
Reviews in Computational Chemistry Series, #25
Pages:
443
Product dimensions:
6.34(w) x 9.49(h) x 1.09(d)

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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