Hirshfeld surfaces identify inadequacies in computations of intermolecular interactions in crystals: pentamorphic 1,8-dihydroxyanthraquinone

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Hirshfeld surfaces identify inadequacies in computations of intermolecular interactions in crystals: pentamorphic 1,8-dihydroxyanthraquinone

Fingerprint plots of Hirshfeld surfaces were used to locate and analyze the deficiencies in various methodologies employed in the determination of the relative energies of five polymorphs of 1,8-dihydroxyanthraquinone. Nine crystallographically independent molecules were characterized by X-ray cryst...

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Bibliographic Details
Main Authors:	Rohl, Andrew, Moret, M., Kaminsky, W., Claborn, Kacey, McKinnon, J., Kahr, B.
Format:	Journal Article
Published:	American Chemical Society 2008
Online Access:	http://hdl.handle.net/20.500.11937/16745

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