Previous Next Contents

4.10 Dr. Tibor Koritsanszky

Institut für Kristallographie

Keywords: X-ray diffraction, charge density, topology.


My main research field, in which I have been engaged since 1984, is the determination of the molecular charge density and related electronic properties from X-ray diffraction data. The procedure involved is based on a detailed modeling of the diffraction pattern related to the distribution of the electrons in the crystal.

Within an international project we have been developing a computer program package to reconstruct the real-space "shape" of the molecules from their diffraction images and to extract chemical information from the result by means of analyzing the topological properties of the electron density obtained.

Previous Next Contents
© 1996, Redaktionsschluß: 1996-08-01.