CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Spackman, Peter R., Turner, Michael J., McKinnon, Joshua J., Wolff, Stephen K., Grimwood, Daniel J., Jayatilaka, Dylan, Spackman, Mark A.
Published in Journal of applied crystallography (01.06.2021)
Published in Journal of applied crystallography (01.06.2021)
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Journal Article
Comparison of Polymorphic Molecular Crystal Structures through Hirshfeld Surface Analysis
McKinnon, Joshua J, Fabbiani, Francesca P. A, Spackman, Mark A
Published in Crystal growth & design (01.04.2007)
Published in Crystal growth & design (01.04.2007)
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Journal Article
Visualisation and characterisation of voids in crystalline materials
Turner, Michael J., McKinnon, Joshua J., Jayatilaka, Dylan, Spackman, Mark A.
Published in CrystEngComm (01.01.2011)
Published in CrystEngComm (01.01.2011)
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Journal Article
Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone
Rohl, Andrew L, Moret, Massimo, Kaminsky, Werner, Claborn, Kacey, McKinnon, Joshua J, Kahr, Bart
Published in Crystal growth & design (03.12.2008)
Published in Crystal growth & design (03.12.2008)
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Journal Article
Conference Proceeding
Electric field-derived point charges to mimic the electrostatics in molecular crystals
Whitten, Andrew E., McKinnon, Joshua J., Spackman, Mark A.
Published in Journal of computational chemistry (30.07.2006)
Published in Journal of computational chemistry (30.07.2006)
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Journal Article
Hirshfeld Surfaces: A New Tool for Visualising and Exploring Molecular Crystals
McKinnon, Joshua J., Mitchell, Anthony S., Spackman, Mark A.
Published in Chemistry : a European journal (02.11.1998)
Published in Chemistry : a European journal (02.11.1998)
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Journal Article