© 1981

Computational Theoretical Organic Chemistry

Proceedings of the NATO Advanced Study Institute held at Menton, France, June 29-July 13, 1980

  • I. G. Csizmadia
  • R. Daudel
Conference proceedings

Part of the NATO Advanced Study Institutes Series book series (ASIC, volume 67)

Table of contents

  1. Front Matter
    Pages i-viii
  2. Raymond A. Poirier
    Pages 15-20
  3. Michael A. Robb, Richard H. A. Eade
    Pages 21-54
  4. B. Nagy Otto
    Pages 77-100
  5. H. Bernhard Schlegel
    Pages 129-159
  6. Myung-Hwan Whangbo
    Pages 233-252
  7. George R. De Maré
    Pages 371-377
  8. E. M. Evleth, E. Kassab
    Pages 379-395
  9. R. P. Steer, P. G. Mezey, A. Kapur
    Pages 397-402
  10. Ernst C. Hass, Peter J. Plath, Paul G. Mezey
    Pages 403-408

About these proceedings


As a general rule any interdisciplinary subject and that includes Computational Theoretical Organic Chemistry (CTOC) incorporates people from the two overlaping areas. In this case the overlaping areas are Computational Theoretical Chemistry and Organic Chemistry. Since CTOC is a relatively young science, people continue to shift from their major discipline to this area. At this particular time in history we have to accept in CTOC people who were trained in Computational Theoretical Chemistry and do not know very much about Organic Chemistry, but more often the opposite case is operative Experimental Organic Chemistry who have not been exposed to Computational Theoretical Chemistry. This situation made NATO Advanced Study Institute in the field of CTOC necessary. The inhomogenity outlined above was present in the NATO Advanced Study Institute, held at Menton in July 1980, and to some degree it is noticable from the content of this volume. This book contains 20 contributions. The first contribution is an Introduc­ tion chapter in which the initiated experimental chemists are briefed about the subject matter. The last chapter describes very briefly the "Computational Laboratory" that was designed to help people with an experimental back ground in order to obtain some first hand experience. Between the first and the last chapters there are 18 contributions. These contributions were arranged in a spectrum from the exclusively method oriented papers to the applications of existing computational methods to problems of interest in Organic Chemistry.


Isomer chemistry molecule organic chemistry photochemistry reactions theoretical chemistry

Editors and affiliations

  • I. G. Csizmadia
    • 1
  • R. Daudel
    • 2
  1. 1.Department of ChemistryUniversity of TorontoToronto, OntarioCanada
  2. 2.Centre de Mécanique Ondulatoire AppliquéeCentre National de la Recherche ScientifiqueParisFrance

Bibliographic information

  • Book Title Computational Theoretical Organic Chemistry
  • Book Subtitle Proceedings of the NATO Advanced Study Institute held at Menton, France, June 29-July 13, 1980
  • Editors Imre G. Csizmadia
    R. Daudel
  • Series Title NATO Advanced Study Institutes Series
  • DOI
  • Copyright Information Springer Science+Business Media B.V. 1981
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Hardcover ISBN 978-90-277-1270-7
  • Softcover ISBN 978-94-009-8474-5
  • eBook ISBN 978-94-009-8472-1
  • Series ISSN 1389-2185
  • Edition Number 1
  • Number of Pages , 434
  • Number of Illustrations 0 b/w illustrations, 0 illustrations in colour
  • Topics Theoretical and Computational Chemistry
    Organic Chemistry
  • Buy this book on publisher's site
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