Hirshfeld surface analysis MA Spackman, D Jayatilaka CrystEngComm 11 (1), 19-32, 2009 | 6749 | 2009 |
Fingerprinting intermolecular interactions in molecular crystals MA Spackman, JJ McKinnon CrystEngComm 4 (66), 378-392, 2002 | 3683 | 2002 |
Crystal explorer SK Wolff, DJ Grimwood, JJ McKinnon, MJ Turner, D Jayatilaka, ... University of Western Australia, 2012 | 3306 | 2012 |
CrystalExplorer17 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... The University of Western Australia 108, 76730, 2017 | 2884 | 2017 |
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals PR Spackman, MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, ... Journal of Applied Crystallography 54 (3), 1006-1011, 2021 | 2693 | 2021 |
Novel tools for visualizing and exploring intermolecular interactions in molecular crystals JJ McKinnon, MA Spackman, AS Mitchell Acta Crystallographica Section B: Structural Science 60 (6), 627-668, 2004 | 2617 | 2004 |
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces JJ McKinnon, D Jayatilaka, MA Spackman Chemical Communications, 3814-3816, 2007 | 2095 | 2007 |
A novel definition of a molecule in a crystal MA Spackman, PG Byrom Chemical physics letters 267 (3-4), 215-220, 1997 | 1238 | 1997 |
CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems CF Mackenzie, PR Spackman, D Jayatilaka, MA Spackman IUCrJ 4 (5), 575-587, 2017 | 1086 | 2017 |
Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals MA Spackman, JJ McKinnon, D Jayatilaka CrystEngComm 10 (4), 377-388, 2008 | 974 | 2008 |
Hirshfeld surfaces: a new tool for visualising and exploring molecular crystals JJ McKinnon, AS Mitchell, MA Spackman Chemistry–A European Journal 4 (11), 2136-2141, 1998 | 896 | 1998 |
Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals MJ Turner, SP Thomas, MW Shi, D Jayatilaka, MA Spackman Chemical Communications 51 (18), 3735-3738, 2015 | 633 | 2015 |
Comparing entire crystal structures: structural genetic fingerprinting A Parkin, G Barr, W Dong, CJ Gilmore, D Jayatilaka, JJ McKinnon, ... CrystEngComm 9 (8), 648-652, 2007 | 573 | 2007 |
Visualisation and characterisation of voids in crystalline materials MJ Turner, JJ McKinnon, D Jayatilaka, MA Spackman CrystEngComm 13 (6), 1804-1813, 2011 | 514 | 2011 |
Accurate and efficient model energies for exploring intermolecular interactions in molecular crystals MJ Turner, S Grabowsky, D Jayatilaka, MA Spackman The journal of physical chemistry letters 5 (24), 4249-4255, 2014 | 482 | 2014 |
CrystalExplorer17, University of Western Australia, 2017 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... | 417 | 2017 |
Comparison of polymorphic molecular crystal structures through Hirshfeld surface analysis JJ McKinnon, FPA Fabbiani, MA Spackman Crystal growth & design 7 (4), 755-769, 2007 | 351 | 2007 |
Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions HF Clausen, MS Chevallier, MA Spackman, BB Iversen New Journal of Chemistry 34 (2), 193-199, 2010 | 346 | 2010 |
A simple quantitative model of hydrogen bonding MA Spackman The Journal of chemical physics 85 (11), 6587-6601, 1986 | 282 | 1986 |
Accurate prediction of static dipole polarizabilities with moderately sized basis sets MA Spackman The Journal of Physical Chemistry 93 (22), 7594-7603, 1989 | 274 | 1989 |