The Application of Charge Density Research to Chemistry and Drug Design

  • George A. Jeffrey
  • Juan F. Piniella

Part of the NATO ASI Series book series (NSSB, volume 250)

Table of contents

  1. Front Matter
    Pages i-xi
  2. Lectures

  3. Posters

    1. F. Baert, A. Guelzim, V. Warin
      Pages 337-337
    2. Ana Matos Beja, J. A. Carvalho Paixão, J. Martin Gil, M. Aragon Salgado
      Pages 338-338
    3. Hendrik L. De Bondt, N. M. Blaton, O. M. Peeters, C. J. De Ranter, I. Kjøller Larsen
      Pages 341-349
    4. Ben Bracke, B. van Dijk, C. Van Alsenoy, A. T. H. Lenstra
      Pages 351-351

About this book


In the past twenty years, the X-ray crystallography of organic molecules has expanded rapidly in two opposite directions. One is towards larger and larger biological macromolecules and the other is towards the fine details of the electronic structure of small molecules. Both advances required the development of more sophisticated methodologies. Both were made possible by the rapid development of computer technology. X-ray diffraction equipment has responded to these demands, in the one case by the ability to measure quickly many thousands of diffraction spectra, in the other by providing instruments capable of very high precision. Molecules interact through their electrostatic potentials and therefore their experimental and theoretical measurement and calculation is an essential component to understanding the electronic structure of chemical and biochemical reactions. In this ASI, we have brought together experts and their students from both the experimental and theoretical sides of this field, in order that they better understand the philosophy and complexity of these two complementary approaches. George A. Jeffrey Department of Crystallography University of Pittsburgh Pittsburgh, Pennsylvania 15260 USA vii CONTENTS LECTURES General Considerations on Methods for Studying Molecular Structures and Electron Density Distributions ..


X-ray crystallography chemistry crystal crystallography electron hydrogen neutron diffraction spectroscopy

Editors and affiliations

  • George A. Jeffrey
    • 1
  • Juan F. Piniella
    • 2
  1. 1.Department of CrystallographyUniversity of PittsburghPittsburghUSA
  2. 2.Departament de CristallografiaUniversitat Autonoma de BarcelonaBellaterraSpain

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag US 1991
  • Publisher Name Springer, Boston, MA
  • eBook Packages Springer Book Archive
  • Print ISBN 978-0-306-43880-6
  • Online ISBN 978-1-4615-3700-7
  • Series Print ISSN 0258-1221
  • About this book