Journal ArticleDOI
TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries
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TLDR
TREOR as discussed by the authors is an indexing program based on trial-and-error methods that contains separate routines for cubic, tetragonal, hexagonal, orthorhombic, monoclinic and triclinic symmetries.Abstract:
An indexing program, TREOR, mainly based on trial-and-error methods is described. The program contains separate routines for cubic, tetragonal, hexagonal, orthorhombic, monoclinic and triclinic symmetries. Ten years usage has been analysed to improve the original program. For monoclinic indexing a specific short-axis test has been developed. The over-all success rate of the program has been found to be better than 90%, and considerably more for orthorhombic and higher symmetries.read more
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Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory
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TL;DR: In this paper, a detailed characterization of structural, vibrational, and electronic properties of UiO-66 (Zr-BDC MOF) in its hydroxylated and dehydroxylating forms is presented.
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Recent advances and applications of machine learning in solid-state materials science
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POwderX: Windows-95-based program for powder X-ray diffraction data processing
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New Synthetic Routes to Hydrotalcite-Like Compounds − Characterisation and Properties of the Obtained Materials
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Synthesis, morphology control, and properties of porous metal–organic coordination polymers
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