Reviews in Computational Chemistry I1
Reviews in Computational
Chemistry 11
Edited by
Kenny B. Lipkowitz and Donald B. Boyd
@ WILEY-VCH ~
New York
Chichester
Weinheirn
Brisbane
~~
Singapore
Toronto
A NOTE TO THE READER This book has been electronically reproduced from digital information stored at John Wiley & Sons, Inc. We are pleased that the use of this new technology will enable us to keep works of enduring scholarly value in print as long as there is a reasonable demand for them. The content of this book is identical to previous printings.
Kenny D . Lipkowitz Department of Chemistry Indiana University -- Purdue University at Indianapolis I125 East 38th Street Indianapolis. Indiana 46205
Donald B. Boyd Lilly Research Laboratories Eli Lilly and Company Lilly Corporate Center Indianapolis, Indiana 46285
Copyright 'C 199 I by Wiley-VCH. Inc. Originally published as ISBN 1-56081-5 15-9 Published sinitiltaneously in Canada. N o part of this publication may be reproduced. stored 111a retrieval system, or transinittcd in any forin or by any means, electronic. mechanical, photocopying, recording. scanning or otherwise, except as permitted tiiider Sections 107 and 108 oftlie 1976 United States Copyright Act, without either the prior written permission of the Publisher, or authorization through payment of the appropriate per-copy fee to the Copyright Clearance Center; 222 Rosewood Drive, Danveru. MA 01923, (978) 750-8400>fax (978) 750-4744. Requests to the Publisher for permission should he addressed to the I'ermissions Department: John Wiley & Sons, Inc.. 605 Third Avenue, New York, N Y 10158-0012. (212) 850-601 1. fax (212) 850-6008. E-mail:
[email protected]
For ordering and custoiner service. call 1 -SOO-CALL-WILEY, Lihr(irJ1of Congress Cntrrlogirig-iri-PitbliclrtioltData Reviews i n computational clieniistry : advances / edited by Kenny B. Lipko\+itz and Donald 8. Boyd p. cm. Includes bibliographical references and index lSBN 0-471-18810-7 1, Chemistry -- Data processing. 2 . Chemistry -- Mathematics. I . Lipkowitz. Kenny B. 11. Boyd. Donald B. QD39.3.E46R49 1991 541.2'2--dc20 91-20017 CIP
1 0 9 8 7 6 5 4 3 2 1
Preface In 1987, we laid the plans for a book series reviewing advances in the rapidly growing and evolving field of computational chemistry. We felt that such a series would be a service to the scientific community and would fill a need not otherwise being met. We aimed the scope broadly covering not only quantum and molecular mechanics, but also covering the closely allied technologies of computer-assisted molecular design, m