The Main Strategies and Tools in EXPO2009

Abstract:

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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 et al., "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:

$35.00

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