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Solid‐State NMR‐Driven Crystal Structure Prediction of Molecular Crystals: The Case of Mebendazole

Chemistry : a European journal, 2022-01, Vol.28 (6), p.e202103589-n/a

2022

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Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D

IUCrJ, 2023-07, Vol.10 (Pt 4), p.448-463

2023

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A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data

IUCrJ, 2019-01, Vol.6 (Pt 1), p.136-144

2019

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Atomic Structure Analysis of Nanocrystalline Boehmite AlO(OH)

Crystal growth & design, 2008-02, Vol.8 (2), p.489-493

2008

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Characterization of a New Solvate of Risedronate

Journal of pharmaceutical sciences, 2011-03, Vol.100 (3), p.863-873

2011

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High-P-T phase relations of Al-bearing magnetite: Post-spinel phases as indicators for P-T conditions of formation of natural samples

The American mineralogist, 2024-06

2024

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Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane

Acta crystallographica. Section B, Structural science, 2010-04, Vol.66 (2), p.229-236

2010

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On the correlation between hydrogen bonding and melting points in the inositols

IUCrJ, 2014-01, Vol.1 (Pt 1), p.61-73

2014

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Predicted and experimental crystal structures of ethyl-tert-butyl ether

Acta crystallographica. Section B, Structural science, 2011-04, Vol.67 (2), p.155-162

2011

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High Temperature Electron Diffraction on Organic Crystals: In Situ Crystal Structure Determination of Pigment Orange 34

Journal of the American Chemical Society, 2024-04, Vol.146 (14), p.9880-9887

2024

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Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

Powder diffraction, 2021-09, Vol.36 (3), p.148-150

2021

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tert -Butyldichlorophosphane: crystal structure and its reactivity towards supersilyl sodium

Zeitschrift für Naturforschung. B, A journal of chemical sciences, 2023-09, Vol.78 (9-10), p.511-517

2023

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The crystal structure determination of an organic dye with triclinic symmetry by electron diffraction

Acta crystallographica. Section A, Foundations and advances, 2021-08, Vol.77 (a2), p.C158-C158

2021

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Synthesis and crystal structure of Mg-bearing Fe9O11: New insight in the complexity of Fe-Mg oxides at conditions of the deep upper mantle

The American mineralogist, 2018-11

2018

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Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer

CrystEngComm, 2011-01, Vol.13 (2), p.391-395

2011

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Sustained-release hot melt extrudates of the weak acid TMP-001: A case study using PBB modelling

European journal of pharmaceutics and biopharmaceutics, 2021-03, Vol.160, p.23-34

2021

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Enhancing Adamantylamine Solubility through Salt Formation: Novel Products Studied by X‑ray Diffraction and Solid-State NMR

Crystal growth & design, 2019-03, Vol.19 (3), p.1860-1873

2019

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Building up Strain in One Step: Synthesis of an Edge‐Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion

Angewandte Chemie International Edition, 2020-09, Vol.59 (37), p.16181-16187

International ed. in English, 2020

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Rietveld and pair distribution function analysis of nanogranular mesocrystalline shells of hyaline foraminifers

Acta crystallographica. Section A, Foundations and advances, 2021-08, Vol.77 (a2), p.C1069-C1069

2021

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4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction

CrystEngComm, 2017, Vol.19 (16), p.2216-2228

2017

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Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

Dyes and pigments, 2016-08, Vol.131, p.364-372

2016

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Electron diffraction tomography and X-ray powder diffraction on photoredox catalyst PDI

CrystEngComm, 2019, Vol.21 (15), p.2571-2575

2019

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Synthesis and structure of the donor-free potassium silanide K[SiPh 3 ]

Zeitschrift für Naturforschung. B, A journal of chemical sciences, 2019-02, Vol.74 (2), p.153-158

2019

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On the stacking disorder of an organic acid

Acta crystallographica. Section A, Foundations and advances, 2016-08, Vol.72 (a1), p.s302-s302

2016

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Solvent-free mesityllithium: solid-state structure and its reactivity towards white phosphorus

Dalton transactions : an international journal of inorganic chemistry, 2010-08, Vol.39 (32), p.7528-7533

2010

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Solid‐State NMR‐Driven Crystal Structure Prediction of Molecular Crystals: The Case of Mebendazole

Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D

A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data

Atomic Structure Analysis of Nanocrystalline Boehmite AlO(OH)

Characterization of a New Solvate of Risedronate

High-P-T phase relations of Al-bearing magnetite: Post-spinel phases as indicators for P-T conditions of formation of natural samples

Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane

On the correlation between hydrogen bonding and melting points in the inositols

Predicted and experimental crystal structures of ethyl-tert-butyl ether

High Temperature Electron Diffraction on Organic Crystals: In Situ Crystal Structure Determination of Pigment Orange 34

Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

tert -Butyldichlorophosphane: crystal structure and its reactivity towards supersilyl sodium

The crystal structure determination of an organic dye with triclinic symmetry by electron diffraction

Synthesis and crystal structure of Mg-bearing Fe9O11: New insight in the complexity of Fe-Mg oxides at conditions of the deep upper mantle

Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer

Sustained-release hot melt extrudates of the weak acid TMP-001: A case study using PBB modelling

Enhancing Adamantylamine Solubility through Salt Formation: Novel Products Studied by X‑ray Diffraction and Solid-State NMR

Building up Strain in One Step: Synthesis of an Edge‐Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion

Rietveld and pair distribution function analysis of nanogranular mesocrystalline shells of hyaline foraminifers

4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction

Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

Electron diffraction tomography and X-ray powder diffraction on photoredox catalyst PDI

Synthesis and structure of the donor-free potassium silanide K[SiPh 3 ]

On the stacking disorder of an organic acid

Solvent-free mesityllithium: solid-state structure and its reactivity towards white phosphorus

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