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Showing 1 to 2 of 2 for “"polySNAP"”.
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The complementary use of theoretical structure prediction and X-ray powder diffraction data in crystal structure determination
… with more sophisticated approaches namely PolySNAP, which uses principal-component analysis, and Compare.x, an algorithm based on weighted cross-correlation. Five structures were analysed, two of which had not been previously characterised. As the structure prediction calculations are …
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Investigating co-crystallisation of primary amides and carboxylic acids. Comparative analysis of Benzamide, Isonicotinamide and Nicotinamide co-crystal growth with carboxylic acid.
… analysis of this data involves the use of polySNAP, which has led to further collaboration with Professor Gilmore¿s group.