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EXPO2009: structure solution by powder data in direct and reciprocal space

Articolo
Data di Pubblicazione:
2009
Abstract:
The program EXPO2009 is the evolution of EXPO2004 [Altomare, Caliandro, Camalli, Cuocci, Giacovazzo, Moliterni & Rizzi (2004). J. Appl. Cryst. 37, 10251028]. EXPO2009 performs all the steps of ab initio structure solution by powder data: indexing, space-group determination, estimation of the reflection integrated intensities, structure solution by direct/Patterson methods and/or by a direct-space/hybrid approach, and model refinement by the Rietveld technique. New procedures have been introduced in EXPO2009 for enhancing the structure solution process, particularly in the case of low-resolution data and/or organic compounds, when traditional approaches like direct methods may fail. The EXPO2009 graphical interface has been optimized and made very user friendly.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Crystal structure solution; Powder diffraction
Elenco autori:
Giacovazzo, Carmelo; Altomare, Angela; Camalli, Mercedes; Moliterni, Anna; Rizzi, Rosanna; Cuocci, Corrado
Autori di Ateneo:
ALTOMARE ANGELA
CUOCCI CORRADO
MOLITERNI ANNA
RIZZI ROSANNA
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/160988
Pubblicato in:
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Journal
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