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What's new ? 2006 McMaille version 4, parallelized for multi core processors New GRINSP version, parallelized for dual core processors Contributions to XX Conference on Applied Crystallography, Wisla, Poland, 11-14 September 2006 Contributions to EPDIC-10, 1-4 September 2006, Geneva Contribution to X-EL 2006, Antwerp (School on Structure Determination by the Combination of X-ray Powder Diffraction and Electron Crystallography), satellite conference of ECM-23 (23rd European Crystallographic Meeting) (zipped). Contribution to the "Gordon Conference Style" Workshop : "Global Optimisation Techniques Applied to the Prediction of Structures, 5-7 July 2006, University College London (.ppt or zipped) Paper about hypothetical AlF3 crystal structures Contribution (in French) to EMC3 (Ecole Marocaine de Cristallographie - 3), Agadir, Morocco (8-12 May, 2006). PowerPoint file, MS Word file and see a few pictures. GRINSP update. The version 2.00 is more user friendly and allows for the modelling of larger structures (up to 192 cations like in faujasite). New satellite software allow for the analysis of the (sometimes) huge lists of predicted inorganic crystal structures. Contribution (in French) to the "Rencontres Scientifiques Soleil/LLB (March 2-3, 2006). Talk about "Progress in Structure Determination by Powder Diffractometry" (.ppt or zipped) PCOD update with > 1000 titanosilicates   2005 Contributions to IUCr XX, Florence: talk about GRINSP (.ppt) and poster about COD and PCOD (.ppt). See a few pictures   Sign the Petition for Open Data in Crystallography Contribution to CAC2 Contribution to the Open Access tendency at IUCr (not cheap : 800 USD...) J. Appl. Cryst. 38, 389-395. (about GRINSP) 2004 Contributions to ESCA-9, Assiut, Egypt, 2 November - 2 December 2004. Contributions to EMC2 (Ecole Marocaine de Cristallographie), El Jadida, Morocco, 10-14 May 2004 - PowerPoint files :  part 1 (or zipped) and part 2 (or zipped) - demonstrations as a MS Word file (or zipped) and see a few pictures. Powder Diffraction Indexing Benchmarks. A subset of the COD stores atomic coordinates of predicted crystal structure : the PCOD New Monte Carlo code for inorganic structure prediction : GRINSP 2003 See the new UPPW service (Unindexed Powder Pattern of the Week). Contribution to SSPD03, Stara Lesna, Slovakia, 14-19 September 2003 (PowerPoint or zipped Powerpoint file, abstract in PDF). See also some pictures. Answer from the IUCr to the COD asking for permission to give a link to their CIFs  Contribution to ECM-21, Durban, South Africa, 24-29 August 2003 (PowerPoint or zipped PowerPoint file). See also a few pictures. Contribution to AFC-2003, Caen, France, 7-10 July 2003 - in French (PowerPoint or zipped Power Point file) Contribution to CONCIM 2003, Bonn, Germany, 8-12 April 2003 (PowerPoint or zipped PowerPoint file). Paper sent to electonic storage ArXiv/HAL/CPS. The Crystallography Open Database : The COD. 2002 McMaille : A new powder pattern indexing software by Monte Carlo or grid search in pseudo direct space. SDPDRR-2 : The second Structure Determination by Powder Diffractometry Round Robin - Starting September 9th, 2002. More than you ever wanted to know about the Le Bail method Search-Match Round Robin - Results available Contribution to SIZE-STRAIN III, Analysis of microstructure and residual stress by diffraction methods, December 2-5, 2001, Trento, Italy. PDF file. 2001 Contributions to ECM-20, Krakow, Poland, August 25-31, 2001 : Conference 1 about the SDPD Internet Course (html, zipped power-point file), and conference 2 about amorphous structure modelling (html, zipped power-point file) - See also a few pictures List of > 300 minerals with unknown crystal structure Trends in SDPD activity ESPOIR version for parallel computing (Florent Calvayrac) Most cited papers from Le Mans (ISI source) Most cited papers about Powder Diffraction (ISI source) Rapport CNRS "à deux ans" 1999-2001 2000 Contributions to the Chemistry Preprint Server     Liste de discussion : REcherche SCIentifique Française (RESCIF) A new tutorial for speeding up ESPOIR use Contribution to the Size/Strain Round Robin with program ARIT K-alpha : believe your eyes or trust mathematics Contributions to EPDIC-7, Barcelona, 20-23 May 2000 : poster 1 (or preprint) and poster 2 (or preprint) ESPOIR 3.50 now driven by a Windows GUI. It can locate up to 6 independent molecules by Monte Carlo from powder diffraction data. Torsion angles are automatically located and possibly varied (recent developments sponsored by the DuPont Company) - GNU Public License Contributions to the Sixth International School and Workshop of Crystallography, 22-27 January 2000, Ismailia, Egypt : conference 1 and conference 2 1999 CrySoCoM : Crystallography Source Code Museum PowBase : a free-access database of raw powder patterns SDPD Internet Course : learn to determine a crystal structure from powder diffraction data Webcam of the University of Maine, Sciences Faculty Contributions to IUCr XVIIIth, Glasgow, Scotland : Workshop on structure solution from powder data, computer Fayre, and poster Contribution to the Kunming (China) workshop on structure determination and refinement from powder data In french : Succès-échecs, des dossiers gagnants, ou perdants, ou même gagnants-perdants ! N'hésitez plus à contribuer. New Reverse Monte Carlo code for ab initio structure determination from powder diffraction data : ESPOIR 0.9 and then ESPOIR 1.0, and now ESPOIR 2.0 allowing molecule location Personal research report for 1995-99 as MS Word 97 .doc files, zipped, in french, of course Birth of the SDPD Mailing List Authors versus number of Rietveld-refined structures in ICSD and the sub-populations working with neutrons, conventional X-ray and synchrotron radiation Authors versus number of structures in ICSD (first 1000, or all) This Web site mirrored in Australia 1998 The Rietveld Mailing List archives are available, searchable by keywords  Discuss about Structure Determination by Powder Diffractometry using the SDPD Forum In french : Comment mettre en ligne une petite base de données Search among the Fluoride Lab's ~600 publications New web site created in the USA Contribution to the First International Conference on Inorganic Materials, Versailles Contribution to ECSOC-2 Preliminary report on the SDPD Round Robin at ECM-18, Prague Contribution to ECM-18, Prague Contribution to the 47th Annual Denver X-ray Conference, Colorado Springs Structure Determination by Powder Diffractometry Round Robin (SDPDRR) ARIT is available (very old and obsolete Rietveld method software) This site mirrored in England The Researcher's Breviary : an automatic translation from an hilarious french document, using Altavista ! No correction from the raw translation, expecting it to be more fun (?-) HKLGEN : Win95 software for [hkl, d(hkl), 2-theta] generation from cell parameters and space group Search the whole site by keywords with Altavista-like user interface ARRED : Academic Research Rare Expert Directory, add yourself if you expect external collaboration 1997 Are you listed by ISI among the 10858 most cited chemists ? See also the most cited french chemists or search by author name. Finally, try the 1120 most cited physicists NOCHAOS : Win 95 software building quickly configuration files for Reverse Monte Carlo Modelling RMCAW95 : Win 95 executables of RMCA, RANDOM, MOVEOUT and CRYSTAL Contribution to ACA'97, StLouis GLASSVIR : Win 95 software creating VRML files of RMCA output for 3D visualization Contribution to the RMC Modelling Internet Conference 1997 Jeu des caricatures (infrench) Tutorial for Ab initio structure determination from powder diffraction data t-AlF3, molecule of the month TREOR, ITO13 and DICVOL for Win95, with possible zeropoint correction ERACEL : Win95 software refining cell parameters 1996 STRUVIR : Win 95 software creating VRML files for crystal structure 3D visualization VRML and crystallography Contribution to IUCr XVII, Seattle, 1996 6-connected 3D nets Université du Maine virtuelle(infrench) Rapport d'activités (infrench) SHELX76 for Win95 libi77.lib and libf77.lib compiled for using f2c under Win95 with MSVC++2.0 1995 ARITVE : Win95 software for amorphous structure modelling based on the Rietveld method SDPD-D : Structure Determination from Powder Diffraction - Database OVERLAP : Win95 software selecting reflections during a SDPD ICDD and Rietveld method 1994 Powder diffractometers and Rietveld method Bréviaire du chercheur (infrench) Match All Terms Any Termand show results in Standard Form in Compact Form Copyright © 1995-2006 - Armel Le Bail