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Nato Science Series C:

Computational Approaches in Supramolecular Chemistry

Editors: Wipff, G. (Ed.)

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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.

Table of contents (34 chapters)

Table of contents (34 chapters)
  • Water Structure from Computational Chemistry

    Pages 1-29

    Corongiu, G. (et al.)

  • Ionic Hydrogen Bond Assemblies in Clusters: Resources and Opportunities for Modeling

    Pages 31-49

    Meot-Ner, Michael

  • Non-Covalent Interactions in Organic Crystals, and the Calibration of Empirical Force Fields

    Pages 51-62

    Gavezzotti, A. (et al.)

  • Hydrogen-Bond Descriptors for Solute Molecules

    Pages 63-78

    Abraham, Michael H.

  • Molecular Recognition of Dinucleotides and Amino Acids by Artificial Receptors Containing a Bicyclic Guanidinium Subunit

    Pages 79-99

    Mendoza, J. (et al.)

Buy this book

eBook $309.00
price for USA in USD (gross)
  • ISBN 978-94-011-1058-7
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $529.00
price for USA in USD
  • ISBN 978-0-7923-2767-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $399.99
price for USA in USD
  • ISBN 978-94-010-4460-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Computational Approaches in Supramolecular Chemistry
Editors
  • G. Wipff
Series Title
Nato Science Series C:
Series Volume
426
Copyright
1994
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media Dordrecht
eBook ISBN
978-94-011-1058-7
DOI
10.1007/978-94-011-1058-7
Hardcover ISBN
978-0-7923-2767-7
Softcover ISBN
978-94-010-4460-8
Series ISSN
1389-2185
Edition Number
1
Number of Pages
XV, 531
Topics