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EXPO2013: A kit of tools for phasing crystal structures from powder data

Academic Article
Publication Date:
2013
abstract:
EXPO2013, the heir of EXPO2009, has been enriched by a variety of new algorithms and graphical tools aiming at strengthening the individual steps of the powder structure solution pathway. Particular attention has been addressed to the procedures devoted to improving structural models provided by direct methods in ab initio approaches. In addition, a new procedure has been implemented, working in direct space, which may be chosen by the user as an alternative to the traditional simulated annealing algorithm. © 2013 International Union of Crystallography Printed in Singapore - all rights reserved.
Iris type:
01.01 Articolo in rivista
Keywords:
Structure solution; direct methods; direct-space technique; powder diffraction; computer program
List of contributors:
Giacovazzo, Carmelo; Falcicchio, Aurelia; Corriero, Nicola; Altomare, Angela; Moliterni, Anna; Rizzi, Rosanna; Cuocci, Corrado
Authors of the University:
ALTOMARE ANGELA
CORRIERO NICOLA
CUOCCI CORRADO
FALCICCHIO AURELIA
MOLITERNI ANNA
RIZZI ROSANNA
Handle:
https://iris.cnr.it/handle/20.500.14243/287217
Published in:
JOURNAL OF APPLIED CRYSTALLOGRAPHY (ONLINE)
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http://www.scopus.com/inward/record.url?eid=2-s2.0-84880564172&partnerID=q2rCbXpz
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