Počet záznamů: 1

Ab initio reconstruction of difference densities by charge flipping

  1. 1.
    0366995 - FZU-D 2012 RIV DK eng J - Článek v odborném periodiku
    Palatinus, Lukáš - Fleischer, F. - Pattison, P. - Weber, T. - Steurer, W.
    Ab initio reconstruction of difference densities by charge flipping.
    Acta Crystallographica Section A. Roč. 67, č. 1 (2011), s. 9-20 ISSN 0108-7673
    Výzkumný záměr: CEZ:AV0Z10100521
    Klíčová slova: structure solution * superstructure * band flipping
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 2.076, rok: 2011

    The charge flipping algorithm in its ”band flipping” variant is used to reconstruct density difference between a superstructure and average structure from superstructure reflections only. This technique can be used for structure solution of superstructures, some types of twins and intergrowths of polytypes as well as for solution of modulated structures and superstructures of quasicrystals.
    Trvalý link: http://hdl.handle.net/11104/0201799