116 research outputs found
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
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Pseudopolymorphism Driven by Stoichiometry and Hydrated/Anhydrous Reagents: The Riveting Case of Methyl Gallate · L-Proline
Get PDFSpeeding Up the Cocrystallization Process: Machine Learning-Combined Methods for the Prediction of Multicomponent Systems
Get PDF79/81Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies
Get PDFStrontium and zinc substitution in β-tricalcium phosphate: An X-ray diffraction, solid state NMR and ATR-FTIR study
Get PDFMechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens
Get PDFWe demonstrate that liquid additives can exert inhibitive or prohibitive effects on the mechanochemical formation of multi-component molecular crystals, and report that certain additives unexpectedly prompt the dismantling of such solids into physical mixtures of their constituents. Computational methods were employed in an attempt to identify possible reasons for these previously unrecognised effects of liquid additives on mechanochemical transformations
Ca(BH4)2–Mg2NiH4: on the pathway to a Ca(BH4)2 system with a reversible hydrogen cycle
Get PDFThe hydride composite Ca(BH4)2–Mg2NiH4 transfers all boron to MgNi2.5B2 upon dehydrogenation, avoiding boron sinks. The rehydrogenation to Ca(BH4)2 was confirmed
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