Simulation of Initial Stages of the Methanol to Gasoline Process in Acidic Zeolites
J. D. Gale , M. C. Payne , I. Stich , M. Hytha
APS March Meeting Abstracts
2000
Ab initio investigation into the stability and electronic properties of GaN-nanowires
C. Stampfl , B. Delley , D. J. Carter , J. D. Gale
APS
2006
Simulation of the Methanol to Gasoline Process catalyzed by Zeolites
J. D. Gale , M. C. Payne , I. Stich , M. Hytha
APS
2001
Modelling the Cores of Dislocations Minerals
B. Slater , J. D. Gale , K. Wright , A. M. Walker
AGUFM 2003
2003
Nucleation and growth of minerals: Atomic-, meso- and pore-scale perspectives
AG Stack , JN Bracco , G Rother , L Anovitz
AGUFM 2012
2012
Virtual Solid Solution Laboratory a tool for quantitative description of mixing and order/disorder effects in minerals
J. D. Gale , B. Winkler , V. L. Vinograd
AGUFM 2006
2006
Thermodynamics of CaMgSi2O6-KAlSi2O6 clinopyroxene solid solution: Quantum mechanical and static lattice energy calculations
J. D. Gale , L. L. Perchuk , B. Winkler , O. G. Safonov
AGU Fall Meeting Abstracts 2007
2007
Understanding the Kinetics of Barium Sulfate Precipitation from Water and Water–Methanol Solutions
F. Jones , S. Piana , J. D. Gale
Crystal Growth & Design 8 ( 3) 817 -822
25
2008
Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations
E. S. Ferrari , K. J. Roberts , G. B. Thomson , J. D. Gale
Acta Crystallographica Section A 57 ( 3) 264 -271
6
2001
The prediction of close packed and porous inorganic crystal structures
S. M. Woodley , C. R. A. Catlow , P. D. Battle , J. D. Gale
Acta Crystallographica Section A 58 196 -196
6
2002
Interaction of Methane with a [Li]0 Center on MgO(100): HF, Post-HF, and DFT Cluster Model Studies
L. Ackermann , J. D. Gale , C. R. A. Catlow
Journal of Physical Chemistry B 101 ( 48) 10028 -10034
20
1997
Acid‐base catalysis in zeolites from first principles
Rajiv Shah , M. C. Payne , J. D. Gale
International Journal of Quantum Chemistry 61 ( 3) 393 -398
28
1997
Virtual Probes of Mineral–Water Interfaces: The More Flops, the Better!
A. G. Stack , J. D. Gale , P. Raiteri
Elements 9 ( 3) 211 -216
10
2013
Lithium Intercalation into Vanadium Pentoxide: a Theoretical Study
J. S. Braithwaite , C. R. A. Catlow , J. D. Gale , J. H. Harding
Chemistry of Materials 11 ( 8) 1990 -1998
111
1999
Order/disorder phase transition in cordierite and its possible relationship to the development of symplectite reaction textures in granulites
V. L. Vinograd , L. L. Perchuk , T. V. Gerya , A. Putnis
Petrology 15 ( 5) 427 -440
9
2007
Atomistic model of diopside-K-jadeite (CaMgSi2O6-KAlSi2O6) solid solution
V. L. Vinograd , O. G. Safonov , D. J. Wilson , L. L. Perchuk
Petrology 18 ( 4) 447 -459
2
2010
Empirical potential derivation for ionic materials
J. D. Gale
Philosophical Magazine Part B 73 ( 1) 3 -19
446
1996
An analytical model for the thermal conductivity of silicon nanostructures
P. Chantrenne , J. L. Barrat , X. Blase , J. D. Gale
Journal of Applied Physics 97 ( 10) 104318 -104327
115
2005
Magnetic properties of polymerized C 60 : The influence of defects and hydrogen
J. A. Chan , B. Montanari , J. D. Gale , S. M. Bennington
Physical Review B 70 ( 4) 041403
63
2004
Scatter: A New Inelastic Neutron Scattering Simulation Subroutine for GULP
D. L. Roach , J. D. Gale , D. K. Ross
Neutron News 18 ( 3) 21 -23
8
2007