Charge Density Analysis

Participants and staff of Charge Density School in Argentina.

An International School and Workshop on Charge Density Analysis was held at La Plata National U. (UNLP), La Plata, Argentina in May 1995. The opening session was dedicated to the memory of Prof. Blas E. Rivero, the former head of the Argentina National Diffraction Lab. (LANADI) and a member of the Organizing Committee. The program of lectures and tutorial sessions covered physical principles of accurate structure analysis, X-ray and synchrotron data collection techniques, advanced methods for error analysis, electron density modelling with diffraction data, theoretical methods, chemical interpretation in terms of orbital concepts and topological analysis, calculation of properties from the multipole model, comparison with ab initio calculations, and applications to transition metal complexes.

The invited lectures of R. Boese (Germany) on new techniques of low temperature crystallization, and of V. Tsirelson (Russia) on accurate X-ray analysis, provided practical and physical foundations of CDA. In the tutorial sessions, a new multipole refinement package (developed by T. Koritsansky, with IUCr sponsorship) was applied to data brought by participants. Participants came from Argentina, Chile, Cuba, France, Germany, Mexico, Spain, Uruguay, UK, and USA. The attendance of the lecturers: P. Coppens (USA), R. Goddard (Germany), P. Mallinson (UK), C. Lehmann (UK), and J. F. Piniella (Spain), was sponsored of NSF (USA), IUCr's Teaching Commission, Max-Planck-Inst. (Germany), The Royal Society (UK), CONICET and UNLP. Young scientists were supported by the IUCr, The British Council, Nonius B. V., and Electrargen Argentina. The School was managed by the LANADI, Dept of Physics of the UNLP and the National Research Council of Argentina (CONICET).