Reviews in Computational Chemistry, Volume 1

Reviews in Computational Chemistry, Volume 1

Editor(s): Kenny B. Lipkowitz, Donald B. Boyd

Published Online: 5 JAN 2007

Print ISBN: 9780471187288

Online ISBN: 9780470125786

DOI: 10.1002/9780470125786

About this Book

This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts.

In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discussion of advanced topics.

Special Feature: The appendix to this book contains an extensive list of available software for molecular modeling.

Table of contents

    1. You have free access to this content
    2. Properties of Molecules by Direct Calculation (pages 83–118)

      Clifford E. Dykstra, Joseph D. Augspurger, Bernard Kirtman and David J. Malik

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