General Information
The Chemist’s Electronic Book of Orbitals introduces students and researchers to the world of molecular orbitals using three-dimensional VRML representations. The electronic components of the book are delivered on the accompanying CD-ROM. The printed part
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Springer-Verlag Berlin Heidelberg GmbH
Tim Clark . Rainer Koch
The Chemist's Electronic Book of Orbitals With 90 Figures
,
Springer
Dr. Tim Clark Universität Erlangen-Nürnberg Computer-Chemie-Centrum Nägelsbachstraße 25 D-91052 Erlangen Dr. Rainer Koch Universität Oldenburg FB Chemie P.O. Box 25 03 D-26m Oldenburg
Library of Congress Cataloging-in-Publication Data Clark, Tim The chemist's electronic book of orbitals / Tim R. Clark, Rainer Koch. 1. Molecular orbitals. I. Koch, Rainer- II. Title. QD461 .C415 1998 541.2'2-ddc21 98-46052
ISBN 978-3-540-63726-4 ISBN 978-3-662-13150-3 (eBook) DOI 10.1007/978-3-662-13150-3 This work is subject to copyright. All rights are reserved, whether the whole part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other ways, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from SpringerVerlag. Violations are liable for prosecution under the German Copyright Law. © Springer-Verlag Berlin Heidelberg 1999
Originally published by Springer-Verlag Berlin Heidelberg New York in 1999. The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Typesetting: Data conversion by MEDIO, Berlin Cover design: de'blik, Berlin SPIN: 10633091
52/3020 5 4 3 2 1 0
Printed on acid-free paper.
Preface
For many years, Bill Jorgensen and Lional Salem's Organic Chemist's Book ofOrbitals was the standard work on qualitative MO-theory in Erlangen. It provided the basic principles as weH as MO-plots of exactly the orbitals that we needed to understand the effects that we were investigating. However, 25 years after its publication, the Organic Chemist's Book of Orbitals is essentiaHy unknown to the current generation of chemistry students, although qualitative MO-theory has become a standard too1. This and the new technical possibilities made possible by the development of web browsers, VRML-viewers etc. suggested that the time is right to attempt a more modern version, this time called The Chemist's Electronic Book of Orbitals. The resulting "book" is a tribute to its predecessor and we hope that it will playa similar role as vanguard for a new generation of chemistry publications in this area. The written text can be read alone, but is intended to be used in conjunction with the demonstrations and VRMLobjects on the CD. The orbital plots can be rotated, displayed and printed as desired. We have designed The Chemist's Electronic Book of Orbitals to be accessed from a standard web-browser with VRML viewer and JAVA in order to avoid the need for extra software on the CD and to make it accessib
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