Chapter 8. Electron-Density Distributions in Molecules

  1. Prof. Dr. Jack D. Dunitz

Published Online: 26 APR 2007

DOI: 10.1002/9783906390390.ch8

X-Ray Analysis and the Structure of Organic Molecules, Second Edition

X-Ray Analysis and the Structure of Organic Molecules, Second Edition

How to Cite

Dunitz, J. D. (1995) Electron-Density Distributions in Molecules, in X-Ray Analysis and the Structure of Organic Molecules, Second Edition, Verlag Helvetica Chimica Acta, Zürich. doi: 10.1002/9783906390390.ch8

Author Information

  1. Laboratorium für Organische Chemie, ETH-Zentrum, Universitätstrasse 16, CH-8092 Zürich, Switzerland

Publication History

  1. Published Online: 26 APR 2007
  2. Published Print: 31 AUG 1995

ISBN Information

Print ISBN: 9783906390147

Online ISBN: 9783906390390

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Keywords:

  • electron-density distributions in molecules;
  • electron-density difference maps;
  • neutron diffraction

Summary

This chapter contains sections titled:

  • Electron-density difference maps

  • Neutron diffraction

  • An example: p-nitropyridine-N-oxide

  • Residual density features in organic molecules

  • Difference densities by least-squares analysis

  • Comparison with theoretical deformation densities

  • Net charges on atoms

  • Summary and outlook