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.