From SIR2008 to SIR2011: the role of electron diffraction (Articolo in rivista)

Type
Label
  • From SIR2008 to SIR2011: the role of electron diffraction (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/crat.201000544 (literal)
Alternative label
  • Camalli M. 1, Carrozzini B. 2, Cascarano G.L. 2, Giacovazzo C. 2-3 (2011)
    From SIR2008 to SIR2011: the role of electron diffraction
    in Crystal research and technology (1981); Wiley-VCH Verlag Gmbh, Weinheim (Germania)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Camalli M. 1, Carrozzini B. 2, Cascarano G.L. 2, Giacovazzo C. 2-3 (literal)
Pagina inizio
  • 555 (literal)
Pagina fine
  • 560 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 46 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1 Istituto di Cristallografia, CNR, Sezione di Monterotondo, CP 10, Monterotondo Stazione, 00016 Roma, Italy 2 Istituto di Cristallografia, CNR, Via Amendola 122/o, 70126 Bari, Italy 3 Dipartimento Geomineralogico, Università di Bari, Campus Universitario, Bari, Italy (literal)
Titolo
  • From SIR2008 to SIR2011: the role of electron diffraction (literal)
Abstract
  • The crystal structure solution of small-medium size molecules via single crystal X-ray data is almost a routine process. When single crystals of sufficient dimensions are not available, electron diffraction is a useful alternative: the structure solution however may still be a challenge. We have modified the standard version of Sir2008 to include several new tools, which are expected to make the phasing process more straightforward. Additional work is in progress: in Sir2011, the heir of Sir2008, particular emphasis will be given to a new procedure for the determination of the space groups, to a new approach (BEA) aiming at reducing in the practice the disturbing effects of the dynamical scattering and to the simulated annealing algorithm, as a phasing tool particularly useful in case of organic structures, when scarce or poor experimental data are available. (literal)
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