http://www.cnr.it/ontology/cnr/individuo/prodotto/ID19598
The combined use of Patterson and Monte Carlo methods for the decomposition of a powder diffraction pattern (Articolo in rivista)
- Type
- Label
- The combined use of Patterson and Monte Carlo methods for the decomposition of a powder diffraction pattern (Articolo in rivista) (literal)
- Anno
- 2006-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1107/S0021889805041798 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Altomare A.; Cuocci C.; Giacovazzo C.; Moliterni A.G.G.; Rizzi R. (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- CNR-IC, Bari
Dip. Geomineralogico, Università di Bari (literal)
- Titolo
- The combined use of Patterson and Monte Carlo methods for the decomposition of a powder diffraction pattern (literal)
- Abstract
- The success of ab initio crystal structure solution by powder diffraction data is strictly related to the quality of the integrated intensity estimates. A new method that is able to improve the pattern decomposition step has been developed. It combines the inversion of a suitably modified Patterson map with the use of the Hamming codes [13,10] and [40,36] in order to explore more decomposition trials. The new approach has been introduced in EXPO2005, an updated version of EXPO2004, and successfully applied to a set of known organic and inorganic structures. (literal)
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