The Quantum Theory Of Atoms In Molecules: From Solid State To Dna And Drug Design

The Quantum Theory of Atoms in Molecules From Solid State to DNA and Drug Design Edited by Che´rif F. Matta and Russell J. Boyd The Quantum Theory of Atoms in Molecules Edited by Che´rif F. Matta and Russell J. Boyd The Quantum Theory of Atoms in Molecules From Solid State to DNA and Drug Design Edited by Che´rif F. Matta and Russell J. Boyd The Editors Prof. Che´rif F. Matta Department of Chemistry & Physics Mount Saint Vincent University Halifax, Nova Scotia, B3M 2J6 Canada and Department of Chemistry Dalhousie University Halifax, Nova Scotia, B3H 4J3 Canada Prof. Russell J. Boyd Department of Chemistry Dalhousie University Halifax, Nova Scotia, B3H 4J3 Canada 9 All books published by Wiley-VCH are carefully produced. Nevertheless, authors, editors, and publisher do not warrant the information contained in these books, including this book, to be free of errors. Readers are advised to keep in mind that statements, data, illustrations, procedural details or other items may inadvertently be inaccurate. Library of Congress Card No.: applied for British Library Cataloguing-in-Publication Data A catalogue record for this book is available from the British Library. Bibliographic information published by the Deutsche Nationalbibliothek Die Deutsche Nationalbibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data are available in the Internet at hhttp://dnb.d-nb.dei. 8 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim All rights reserved (including those of translation into other languages). No part of this book may be reproduced in any form – by photoprinting, microfilm, or any other means – nor transmitted or translated into a machine language without written permission from the publishers. Registered names, trademarks, etc. used in this book, even when not specifically marked as such, are not to be considered unprotected by law. Printed in the Federal Republic of Germany Printed on acid-free paper Typesetting Asco Typesetters, Hong Kong Printing betz-druck GmbH, Darmstadt Binding Litges & Dopf GmbH, Heppenheim Cover Design Adam-Design, Weinheim ISBN 978-3-527-30748-7 This book is dedicated to Professor Richard F.W. Bader on the occasion of his 75 th birthday, for his invaluable contributions to the physical theory of chemistry. ‘‘. . . it is in virtue of the form that the matter is some one definite thing, and this is the substance of the thing. What Aristotle means seems to be plain common sense: a ‘thing’ must be bounded, and the boundary constitutes its form. . . . We should not naturally say that it is the form that confers substantiality, but that is because the atomic hypothesis is ingrained in our imagination. Each atom, however, if it is a ‘thing’, is so in virtue of its being delimited from other atoms, and so having, in some sense, a ‘form’.’’ Bertrand Russell, A History of Western Philosophy; Simon and Schuster, New York (1945). VII Foreword As a graduate student at McMaster University in the years 1975–81 I had the good fortune of knowing Richard Bader as a member of my supervisory