Follow
Andrew Rohl
Andrew Rohl
Professor of Computational Science
Verified email at curtin.edu.au - Homepage
Title
Cited by
Cited by
Year
The General Utility Lattice Program (GULP)
JD Gale, AL Rohl
Molecular Simulation 29 (5), 291-341, 2003
26412003
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
5192008
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
3121995
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
2492003
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
2482004
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
2482004
Determination of the structure of γ-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to …
G Paglia, AL Rohl, CE Buckley, JD Gale
Physical Review B 71 (22), 224115, 2005
1882005
Model of noncontact scanning force microscopy on ionic surfaces
AI Livshits, AL Shluger, AL Rohl, AS Foster
Physical Review B 59 (3), 2436, 1999
1691999
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
1691996
GDIS: a visualization program for molecular and periodic systems
S Fleming, A Rohl
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 580-584, 2005
1492005
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
1432007
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
1381998
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
1322003
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
1172017
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
1172006
Calculated bulk and surface properties of sulfates
C Richard A áCatlow
Faraday Discussions 95, 273-280, 1993
1171993
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
1061994
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
1052001
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
982004
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
942016
The system can't perform the operation now. Try again later.
Articles 1–20