FOX, Current State and Possibilities - Archive ouverte HAL
Article Dans Une Revue Crystals Année : 2017

FOX, Current State and Possibilities

Résumé

FOX (Free Objects for Xtallography) is a computer program for solving crystal structures of all types of compounds using the powder data (but also the single crystal data) measured using X-ray, neutron and electron diffraction. It works in direct space using the reversed Monte Carlo algorithm of global optimization. Since its release fifteen years ago, it has developed into a powerful tool, simplifying the powder pattern analysis starting from the background determination, indexing and space group selection over the structure modelling using various pre-programmed structural fragments up to the validation of the proposed structural model
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Dates et versions

hal-01721588 , version 1 (02-03-2018)

Identifiants

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Radovan Cerny, Vincent Favre-Nicolin, Jan Rohlicek, Michal Husak. FOX, Current State and Possibilities. Crystals, 2017, 7 (10), 10 p. ⟨10.3390/cryst7100322⟩. ⟨hal-01721588⟩
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