Reviews in Computational Chemistry / Edition 1

Reviews in Computational Chemistry / Edition 1

by Kenny B. Lipkowitz, Thomas R. Cundari, Donald B. Boyd
     
 

ISBN-10: 0470112816

ISBN-13: 9780470112816

Pub. Date: 06/22/2007

Publisher: Wiley

This volume, like those prior to it, features pedagogically driven reviews by experts in various fields of computational chemistry. Volume 25 contains: eight chapters covering the glass transition in polymer melts, atomistic modeling of friction, the computation of free volume, structural order and entropy of liquids and glasses, the reactivity of materials at extreme…  See more details below

Overview

This volume, like those prior to it, features pedagogically driven reviews by experts in various fields of computational chemistry. Volume 25 contains: eight chapters covering the glass transition in polymer melts, atomistic modeling of friction, the computation of free volume, structural order and entropy of liquids and glasses, the reactivity of materials at extreme conditions, magnetic properties of transition metal clusters, multiconfigurational quantum methods for the treatment of heavy metals, recursive solutions to large eigenvalue problems, and the development and uses of artificial intelligence in chemistry.

Product Details

ISBN-13:
9780470112816
Publisher:
Wiley
Publication date:
06/22/2007
Series:
Reviews in Computational Chemistry Series, #31
Pages:
517
Product dimensions:
6.50(w) x 9.65(h) x 1.25(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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