Paper Title:
The Main Strategies and Tools in EXPO2009
  Abstract

EXPO2009 [1], the updated version of EXPO2004 [2], performs all the steps for the ab-initio crystal structure solution by powder diffraction data in a completely automatic way: unit cell determination, space group identification, decomposition of the experimental pattern into single integrated intensities, structure solution by traditional (Direct/Patterson) or direct space/hybrid approaches, structure refinement by Rietveld techniques [3]. New procedures have been introduced in EXPO2009 to strengthen its phasing ability, especially for organic compounds and for low resolution data, for which traditional approaches may fail.

  Info
Periodical
Solid State Phenomena (Volume 163)
Edited by
Danuta Stróż & Małgorzata Karolus
Pages
1-8
DOI
10.4028/www.scientific.net/SSP.163.1
Citation
A. Altomare, C. Cuocci, C. Giacovazzo, A. G. G. Moliterni, R. Rizzi, "The Main Strategies and Tools in EXPO2009", Solid State Phenomena, Vol. 163, pp. 1-8, 2010
Online since
June 2010
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Price
$32.00
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