Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals

Although solvent-free mechanochemical synthesis continues to gain ever greater importance, the molecular scale processes that occur during such reactions remain largely uncharacterised. Here, we apply computational modelling to indentations between particles of crystals of aspirin and meloxicam unde...

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Veröffentlicht in:	Chemical science (Cambridge) 2019-03, Vol.1 (1), p.2924-2929
Hauptverfasser:	Ferguson, Michael, Moyano, M. Silvina, Tribello, Gareth A, Crawford, Deborah E, Bringa, Eduardo M, James, Stuart L, Kohanoff, Jorge, Del Pópolo, Mario G
Format:	Artikel
Sprache:	eng
Schlagworte:	Aspirin Chemical synthesis Chemistry Computer simulation Crystals Solvents
Online-Zugang:	Volltext
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