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- Publications
- Influence

SUPERFLIP– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions

- L. Palatinus, G. Chapuis
- Chemistry
- 1 August 2007

SUPERFLIP is a computer program that can solve crystal structures from diffraction data using the recently developed charge-flipping algorithm. It can solve periodic structures, incommensurately… Expand

Crystallographic Computing System JANA2006: General features

- V. Petříček, M. Dušek, L. Palatinus
- Chemistry
- 1 May 2014

Abstract JANA2006 is a freely available program for structure determination of standard, modulated and magnetic samples based on X-ray or neutron single crystal/ powder diffraction or on electron… Expand

EDMA: a computer program for topological analysis of discrete electron densities

- L. Palatinus, S. Prathapa, S. V. Smaalen
- Physics
- 1 June 2012

EDMA is a computer program for topological analysis of discrete electron densities according to Bader's theory of atoms in molecules. It locates critical points of the electron density and calculates… Expand

Electron diffraction determination of 11.5 Å and HySo structures: Candidate water carriers to the Upper Mantle

- M. Gemmi, M. Merlini, L. Palatinus, P. Fumagalli, M. Hanfland
- Chemistry
- 1 December 2016

Abstract The dehydration reactions of minerals in subduction zones strongly control geological processes, such as arc volcanism, earthquakes, serpentinization, or geochemical transport of… Expand

The maximum-entropy method in superspace.

- S. van Smaalen, L. Palatinus, M. Schneider
- Chemistry, Medicine
- Acta crystallographica. Section A, Foundations of…
- 6 August 2002

One of the applications of the maximum-entropy method (MEM) in crystallography is the reconstruction of the electron density from phased structure factors. Here the application of the MEM to… Expand

Hydrogen positions in single nanocrystals revealed by electron diffraction

- L. Palatinus, P. Brázda, +6 authors S. Mintova
- Chemistry, Medicine
- Science
- 13 January 2017

Pin the tail on the hydrogens X-ray diffraction has been the method of choice for determining the positions of atoms within a crystal. However, the technique works better for atoms with higher atomic… Expand

Charge flipping combined with histogram matching to solve complex crystal structures from powder diffraction data

- Christian Baerlocher, L. B. McCusker, L. Palatinus
- Chemistry
- 2007

The charge-flipping structure-solution algorithm introduced by Oszlányi and Süto in 2004 has been adapted to accommodate powder diffraction data. In particular, a routine for repartitioning the… Expand

Structure refinement from precession electron diffraction data.

- L. Palatinus, D. Jacob, P. Cuvillier, M. Klementová, W. Sinkler, L. Marks
- Chemistry, Medicine
- Acta crystallographica. Section A, Foundations of…
- 1 March 2013

Electron diffraction is a unique tool for analysing the crystal structures of very small crystals. In particular, precession electron diffraction has been shown to be a useful method for ab initio… Expand

The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate.

- L. Palatinus, M. Dušek, R. Glaum, B. El Bali
- Medicine, Chemistry
- Acta crystallographica. Section B, Structural…
- 1 August 2006

Chromium(II) diphosphate, Cr(2)P(2)O(7), has an incommensurately modulated structure at ambient conditions with a = 7.05, b = 8.41, c = 4.63 A, beta = 108.71 degrees and q = (-0.361, 0, 0.471). It… Expand

The generalized F constraint in the maximum-entropy method--a study on simulated data.

- L. Palatinus, S. van Smaalen
- Chemistry, Medicine
- Acta crystallographica. Section A, Foundations of…
- 1 November 2002

One of the classical problems in the application of the maximum-entropy method (MEM) to electron-density reconstructions is the uneven distribution of the normalized residuals of the structure… Expand