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Ab initio reconstruction of difference densities by charge flipping
- 1.0366995 - FZÚ 2012 RIV DK eng J - Journal Article
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. E-ISSN 2053-2733
Institutional research plan: CEZ:AV0Z10100521
Keywords : structure solution * superstructure * band flipping
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.076, year: 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.
Permanent Link: http://hdl.handle.net/11104/0201799
Number of the records: 1