Computational Approaches in Supramolecular Chemistry

  • Georges Wipff

Part of the NATO ASI Series book series (ASIC, volume 426)

Table of contents

  1. Front Matter
    Pages i-xv
  2. G. Corongiu, E. Clementi
    Pages 1-29
  3. Michael H. Abraham
    Pages 63-78
  4. Andrew D. Hamilton, Yoshitomo Hamuro, Ji Yang, Steven J. Geib, Erkang Fan
    Pages 101-108
  5. Steven G. Zimmerman, Thomas J. Murray
    Pages 109-115
  6. M. F. Hibert, S. Trumpp-Kallmeyer, J. Hoflack
    Pages 151-159
  7. William L. Jorgensen, Daniel L. Severance, Erin M. Duffy
    Pages 161-173
  8. J. N. H. Reek, R. P. Sijbesma, R. J. M. Nolte
    Pages 205-219
  9. Frank C. J. M. van Veggel, Willem Paul van Hoorn, David N. Reinhoudt
    Pages 237-264
  10. R. Ungaro, A. Arduini, A. Casnati, O. Ori, A. Pochini, F. Ugozzoli
    Pages 277-300
  11. D. A. Dougherty, P. C. Kearney, L. S. Mizoue, R. A. Kumpf, J. E. Forman, A. McCurdy
    Pages 301-309
  12. F. Vögtle, C. Seel, R. Berscheid, J. Groß, P.-M. Windscheif
    Pages 311-317
  13. J.-P. Kintzinger, H. Bourgeois, A. Edel, R. Graff, J.-C. Chambron, C. O. Dietrich-Buchecker et al.
    Pages 391-398
  14. Ursula Röthlisberger, Michael L. Klein, Michiel Sprik
    Pages 399-409
  15. R. Popovitz-Biro, J. Majewski, J. L. Wang, K. Kjaer, J. Als-Nielsen, M. Lahav et al.
    Pages 411-418
  16. Mats Eriksson, Torleif Härd, Lennart Nilsson
    Pages 441-456
  17. J. C. Smith, D. Durand, M. Field, S. Furois-Corbin, G. R. Kneller, M. Nina et al.
    Pages 457-475
  18. J. Andrew McCammon
    Pages 515-517

About this book


Supramolecular chemistry has been defined by J.-M. Lehn as "a highly interdisciplinary field of science covering the chemical, physical, and biological features of chemical species of higher complexity, that are held together and organized by means of intermolecular (noncovalent) binding interactions" (Science, 1993). Recognition, reactivity, and transport represent three basic functional features, in essence dynami~s, which may be translated into structural features. The purpose of the NATO workshop which took place september 1-5, 1993 at the Bischenberg (near Strasbourg) was to present computations which may contribute to the atomic level understanding of the structural and thermodynamical features involved in the processes of molecular recognition and supramolecular organization. of "supra-molecular modeling". Other The main focus was therefore, on the many facets applications of computers in chemistry, such as automation, simulation of processes, procedures for fitting kinetic or thermodynamic data, computer assisted synthetic strategies, use of data bases for structure elucidation or for bibliographic searches, have an obvious impact in supramolecular chemistry as well, but were not presented at the workshop.


Dynamics Monte Carlo computer graphics modeling simulation supramolecular chemistry

Editors and affiliations

  • Georges Wipff
    • 1
  1. 1.Laboratory of Molecular Modeling and Simulations, URA-CNRSUniversity Louis PasteurStrasbourgFrance

Bibliographic information

  • DOI
  • Copyright Information Kluwer Academic Publishers 1994
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-010-4460-8
  • Online ISBN 978-94-011-1058-7
  • Series Print ISSN 1389-2185
  • Buy this book on publisher's site
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