Berichte aus Arbeitskreisen der DGK

Nr. 9 (2000)


„VII. Workshop powder diffraction:
Structure determination and refinement from powder diffraction data“


R.E. Dinnebier (Herausgeber – editor)

Inhalt – Table of contents:

1 Freely available software to assist in solving structures from powder diffraction L.M.D. Cranswick
2 EXPO2000: a new package for ab-initio structure solution from powder data A. Altomare, C. Giacovazzo, A. Guagliardi, A. Grazia, G. Moliterni, R. Rizzi
3 The solution of molecular structures by Patterson search methods using powder diffraction intensity data J. Rius
4 Monte Carlo methods M. Tremayne, C. Seaton
5 Crystal structure determination of tetracycline hydrochloride with powder solve M.A. Neumann, F.J.J. Leusen, G. Engel, C. Conesa-Moratilla, S. Wilke
6 DASH tutorial 1 K. Shankland, W.I.F. David
7 DASH tutorial 2 H. Nowell, K. Shankland
8 Combined method for ab initio structure solution from powder diffraction data: The ENDEAVOUR software H. Putz
9 Structure determination from powder data with TOPAS A. Kern
10 Energy minimization techniques M.U. Schmidt
11 Maximum entropy method applied to crystallographic problems M. Schneider, S. van Smaalen
12 BRASS: The Bremen Rietveld analysis and structure suite R.X. Fischer, Th. Messner, D. Kassner
13 High pressure powder diffraction R.J. Angel
14 Application of X-ray powder diffraction in pharmaceutical sciences P. Sieger
15 Structure determination from X-ray powder data of notoriously difficult materials H. Gies
16 The importance of the inorganic crystal structure database ICSD for the application of Rietveld-methods R. Allmann