| The General Utility Lattice Program (GULP) JD Gale, AL Rohl Molecular Simulation 29 (5), 291-341, 2003 | 2744 | 2003 |
| Hirshfeld surfaces identify inadequacies in computations of intermolecular interactions in crystals: pentamorphic 1, 8-dihydroxyanthraquinone AL Rohl, M Moret, W Kaminsky, K Claborn, JJ McKinnon, B Kahr Crystal Growth and Design 8 (12), 4517-4525, 2008 | 547 | 2008 |
| Marvin: A new computer code for studying surfaces and interfaces and its application to calculating the crystal morphologies of corundum and zircon DH Gay, AL Rohl Journal of the Chemical Society, Faraday Transactions 91 (5), 925-936, 1995 | 309 | 1995 |
| Tetragonal structure model for boehmite-derived γ-alumina G Paglia, CE Buckley, AL Rohl, BA Hunter, RD Hart, JV Hanna, LT Byrne Physical Review B 68 (14), 144110, 2003 | 260 | 2003 |
| Boehmite derived γ-alumina system. 1. Structural evolution with temperature, with the identification and structural determination of a new transition phase, γ ‘-alumina G Paglia, CE Buckley, AL Rohl, RD Hart, K Winter, AJ Studer, BA Hunter, ... Chemistry of materials 16 (2), 220-236, 2004 | 256 | 2004 |
| Determination of the structure of -alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions … G Paglia, AL Rohl, CE Buckley, JD Gale Physical Review B—Condensed Matter and Materials Physics 71 (22), 224115, 2005 | 192 | 2005 |
| Model of noncontact scanning force microscopy on ionic surfaces AI Livshits, AL Shluger, AL Rohl, AS Foster Physical Review B 59 (3), 2436, 1999 | 171 | 1999 |
| Molecular mechanics study of oligomeric models for poly (ferrocenylsilanes) using the extensible systematic forcefield (ESFF) S Barlow, AL Rohl, S Shi, CM Freeman, D O'Hare Journal of the American Chemical Society 118 (32), 7578-7592, 1996 | 168 | 1996 |
| GDIS: a visualization program for molecular and periodic systems S Fleming, A Rohl Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 580-584, 2005 | 155 | 2005 |
| Effects of temperature on the scaling of calcium sulphate in pipes TA Hoang, HM Ang, AL Rohl Powder Technology 179 (1-2), 31-37, 2007 | 153 | 2007 |
| Structure, stability and morphology of stoichiometric ceria crystallites S Vyas, RW Grimes, DH Gay, AL Rohl Journal of the Chemical Society, Faraday Transactions 94 (3), 427-434, 1998 | 138 | 1998 |
| Evidence from surface phonons for the (2× 1) reconstruction of the (1014) surface of calcite from computer simulation AL Rohl, K Wright, JD Gale American Mineralogist 88 (5-6), 921-925, 2003 | 133 | 2003 |
| Examination of Spinel and Nonspinel Structural Models for γ-Al2O3 by DFT and Rietveld Refinement Simulations M Sun, AE Nelson, J Adjaye The Journal of Physical Chemistry B 110 (5), 2310-2317, 2006 | 125 | 2006 |
| Powder diffraction and crystal structure prediction identify four new coumarin polymorphs AG Shtukenberg, Q Zhu, DJ Carter, L Vogt, J Hoja, E Schneider, H Song, ... Chemical Science 8 (7), 4926-4940, 2017 | 124 | 2017 |
| Calculated bulk and surface properties of sulfates C Richard A áCatlow Faraday Discussions 95, 273-280, 1993 | 119 | 1993 |
| An ab initio study of the structure and properties of aluminum hydroxide: gibbsite and bayerite JD Gale, AL Rohl, V Milman, MC Warren The Journal of Physical Chemistry B 105 (42), 10236-10242, 2001 | 108 | 2001 |
| Atomistic theory of the interaction between AFM tips and ionic surfaces AL Shluger, AL Rohl, DH Gay, RT Williams Journal of Physics: Condensed Matter 6 (10), 1825, 1994 | 107 | 1994 |
| Boehmite-derived γ-alumina system. 2. Consideration of hydrogen and surface effects G Paglia, CE Buckley, TJ Udovic, AL Rohl, F Jones, CF Maitland, ... Chemistry of materials 16 (10), 1914-1923, 2004 | 101 | 2004 |
| A supramolecular ice growth inhibitor R Drori, C Li, C Hu, P Raiteri, AL Rohl, MD Ward, B Kahr Journal of the American Chemical Society 138 (40), 13396-13401, 2016 | 100 | 2016 |
| Twisted aspirin crystals X Cui, AL Rohl, A Shtukenberg, B Kahr Journal of the American Chemical Society 135 (9), 3395-3398, 2013 | 94 | 2013 |
