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
21392003
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
3332008
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
2991995
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
2072004
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
2072004
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
2002003
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
1701996
Model of noncontact scanning force microscopy on ionic surfaces
AI Livshits, AL Shluger, AL Rohl, AS Foster
Physical Review B 59 (3), 2436, 1999
1651999
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
1632005
GDIS: a visualization program for molecular and periodic systems
S Fleming, A Rohl
Zeitschrift fr Kristallographie-Crystalline Materials 220 (5-6), 580-584, 2005
1322005
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
1321998
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
1132003
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
1051994
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
1032007
Calculated bulk and surface properties of sulfates
C Richard A Catlow
Faraday Discussions 95, 273-280, 1993
1001993
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
982006
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
922001
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
912004
Size and shape characteristics of inorganic molecular ions and their relevance to crystallization problems
PMD Mingos, AL Rohl
Inorganic Chemistry 30 (19), 3769-3771, 1991
861991
Molecular modeling of water adsorption on hematite
F Jones, AL Rohl, JB Farrow, W van Bronswijk
Physical Chemistry Chemical Physics 2 (14), 3209-3216, 2000
842000
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Articles 1–20