Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods

  • Georges Henry Wagnière

Part of the Lecture Notes in Chemistry book series (LNC, volume 1)

Table of contents

  1. Front Matter
    Pages i-v
  2. Georges Henry Wagnière
    Pages 1-4
  3. Georges Henry Wagnière
    Pages 4-14
  4. Georges Henry Wagnière
    Pages 15-41
  5. Georges Henry Wagnière
    Pages 42-58
  6. Georges Henry Wagnière
    Pages 59-70
  7. Georges Henry Wagnière
    Pages 71-99
  8. Back Matter
    Pages 100-109

About this book

Introduction

These notes summarize in part lectures held regularly at the University of Zurich and, in the Summer of 1974, at the Semi­ nario Latinoamericano de QUimica Cuantica in Mexico. I am grateful to those who have encouraged me to publish these lec­ tures or have contributed to them by their suggestions. In particular, I wish to thank Professor J. Keller of the Univer­ sidad Nacional Autonoma in Mexico, Professor H. Labhart and Professor H. Fischer of the University of Zurich, as well as my former students Dr. J. Kuhn, Dr. W. Hug and Dr. R. Geiger. The aim of these notes is to provtde a summary and concise introduction to elementary molecular orbital theory, with an emphasis on semiempirical methods. Within the last decade the development and refinement of ab initio computations has tended to overshadow the usefulness of semiempirical methods. However, both approaches have their justification. Ab initio methods are designed for accurate predictions, at the expense of greater computational labor. The aim of semiempirical methods mainly lies in a semiquantitative classification of electronic pro­ perties and in the search for regularities within given classes of larger molecules. The reader is supposed to have had some previous basic instruc­ tion in quantum mechanics, such as is now offered in many uni­ versities to chemists in their third or fourth year of study. The bibliography should encourage the reader to consult other texts, in particular also selected publications in scientific journals.

Keywords

Molekülorbital Orbital Orbital Theory electrons optical activity

Authors and affiliations

  • Georges Henry Wagnière
    • 1
  1. 1.Physikalisch-Chemisches InstitutUniversität ZürichZürichSwitzerland

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-93050-8
  • Copyright Information Springer-Verlag Berlin Heidelberg 1976
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-07865-4
  • Online ISBN 978-3-642-93050-8
  • Series Print ISSN 0342-4901
  • About this book