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 Results for by Magdysyuk, O.V.
Accurate electron densities
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.6, p. [ doi:10.1107/97809553602060000963 ]
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Disorder and anharmonic atomic displacements
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.5, p. [ doi:10.1107/97809553602060000963 ]
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Types of MEM-reconstructed electron-density distribution
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.1, p. [ doi:10.1107/97809553602060000963 ]
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Combination of MEM and Rietveld refinement (REMEDY cycle)
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.3, p. [ doi:10.1107/97809553602060000963 ]
It involves the alternate application of Rietveld refinement of a structure model and MEM calculations based on F obs and φ calc [type (2) map in Section 4.8.7.1 ], while in each cycle the MEM electron density is employed to generate ...

MEM-assisted structure solution by charge flipping
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.4, p. [ doi:10.1107/97809553602060000963 ]
of the maximum-entropy method to powder-diffraction data As discussed in Section 4.8.7.2, reflection phases from charge flipping can be used for a complete ab initio determination of the electron density of ordered and disordered ...

MEM-based improvement of the structure model from charge flipping
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7.2, p. [ doi:10.1107/97809553602060000963 ]
in Section 4.8.7.1 ] leads to a similar density but with distinct differences that can be described as a smoother distribution of the densities of the anions (Fig. 4.8.7). Three more MEM density maps of decreasing model bias are presented in Fig. 4.8.7 ...

Analysis of the electron-density distribution from powder-diffraction data
Magdysyuk, O.V., van Smaalen, S. and Dinnebier, R.E., International Tables for Crystallography (2019). Vol. H, Section 4.8.7, p. [ doi:10.1107/97809553602060000963 ]
with F constraints based on F obs with φ calc [type (2) in Section 4.8.7.1 ] leads to a similar density but with distinct differences that can be described as a smoother distribution of the densities of the anions (Fig. 4.8.7 ...

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