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The New World of Quantum Chemistry

Proceedings of the Second International Congress of Quantum Chemistry Held at New Orleans, U.S.A., April 19–24, 1976

  • Bernard Pullman
  • Robert Parr
Conference proceedings

Table of contents

  1. Front Matter
    Pages I-IX
  2. Foundations of Quantum Chemistry

    1. Front Matter
      Pages 1-1
  3. Molecular Scattering

  4. Quantum Organic Chemistry and Beyond

    1. Front Matter
      Pages 131-131
    2. Bernard Pullman
      Pages 133-135
    3. George G. Hall
      Pages 137-148
    4. Alberte Pullman
      Pages 149-187
    5. Ralph E. Christoffersen, Raffaella Pavani Angeli
      Pages 189-210
  5. Potential Surfaces, Transition States, and Intermediates in Chemical and Photochemical Processes

    1. Front Matter
      Pages 211-211
    2. S. D. Peyerimhoff, R. J. Buenker
      Pages 213-240
  6. Surface Quantum Chemistry and Catalysis

    1. Front Matter
      Pages 271-271
    2. Jaroslav Koutecky
      Pages 279-303
    3. J. R. Schrieffer
      Pages 305-315
    4. Keith H. Johnson
      Pages 317-356

About these proceedings

Introduction

Bernard PULLMAN During a long period organic chemistry was one of the pre­ ferred field of exploration for many quantum chemists. It still remains of major interest for a number of them, but altogether it seems as if the center of gravity of the quantum molecular theories became displaced towards different horizons. The dis­ placement seems in fact to occur in two directions. On the one hand, we see a prominent development of very refined computations for relatively small and frequently inorganic molecular systems with the view of a better and better reproduction of their obser­ vable properties and thus a better understanding of the fundamen­ tal principles governing the electronic structure of molecules. On the other hand, there is a no less prominent development of frequently also no less refined computations towards the study of molecular systems which because of their dimensions or the com­ plexity of the questions which they raise go beyond the usual treatment of organic molecules. These later studies involve in particular the penetration of quantum-mechanical concepts and me­ thods into the realm of biochemistry, biophysics, and pharma~olo­ gy. It so happens that because of the nature of the problems in­ volved this penetration has taken up a double aspect.

Keywords

Atom Sorption catalysis chemical bond chemical reaction quantum chemistry structure

Editors and affiliations

  • Bernard Pullman
    • 1
  • Robert Parr
    • 2
  1. 1.Fondation Edmond RothschildInstitut de Biologie Physico-ChimiqueParisFrance
  2. 2.Chemistry DepartmentUniversity of North CarolinaChapel HillUSA

Bibliographic information

  • DOI https://doi.org/10.1007/978-94-010-1523-3
  • Copyright Information Springer Science+Business Media B.V. 1976
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-010-1525-7
  • Online ISBN 978-94-010-1523-3
  • Buy this book on publisher's site