Computing School on Practical Aspects of Charge Density Determination

Freie Universität Berlin, Germany, 15 - 18 September 1997

This workshop will provide hands-on lectures on theoretical and experimental aspects of charge density determination by X-ray diffraction. In addition, tutorials will be held for XD, a computer program package for multipole refinement and analysis of of experimental electron densities and related properties. Several samples, including high-resolution X-ray data sets collected around 20K will be provided. Sessions are being organized on the following topics:

The electron density
Chemistry from the electron density
Scattering theory
From the structure factor to the charge density
Electron density models
Low temperature diffraction experiments
Data reduction
Technical introduction to XD, demonstration
Model inadequacies
Interpretation of the results

Date and Location

The meeting will take place from September 15 to 18 at the Free University of Berlin in the Institute for Crystallography.

Local Organizers

T. Koritsanszky, P. Luger, T. Richter, R. Flaig
Freie Universität Berlin

Speakers

S. Howard	University of Wales, UK
P.R. Mallinson	University of Glasgow, UK
T. Koritsanszky P. Luger T. Richter	Freie Universität Berlin, Germany
E.F. Paulus	Hoechst AG, Germany
R. Boese	Universität Essen, Germany
E. Egert	Universität Frankfurt/M, Germany
N.K. Hansen	Université Henri Poincaré, France
R. Blessing	Hauptman-Woodward Research Institute, USA

Poster

It will be possible for interested participants to present a poster.

Price and General Information

	Normal	Student
Registration Fee	100 DM	50 DM
Accomodation
Single Room	80 DM	45 DM
Double Room	55 DM	35 DM

Room rates are per person and night. A limited number of triple rooms with even lower rates are also available. Lunch is available in the university's restaurant for a reasonable price. A limited number of grants for students will hopefully be available.

Contact Details

XD School Secretariat
Institute for Crystallography
Free University of Berlin
Takustr. 6
D-14195 Berlin
Germany

Phone:	+49 - 30 - 838-3408
Fax:	+49 - 30 - 838-3464
Email:	xd-school@chemie.fu-berlin.de

Document last changed: 08-Mar-1997