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  • Currently displaying 241 - 252 of 252 publications
Different Surface Chemistries of Water on Ru{0001}: From Monomer Adsorption to Partially Dissociated Bilayers
A Michaelides, A Alavi, DA King
– J Am Chem Soc
(2003)
125,
2746
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{1 1 1}
A Michaelides, ML Bocquet, P Sautet, A Alavi, DA King
– Chemical Physics Letters
(2003)
367,
344
Hydrogenation of S to H2S on Pt(111): A first-principles study
A Michaelides, P Hu
– Journal of Chemical Physics
(2001)
115,
8570
Catalytic Water Formation on Platinum: A First-Principles Study
A Michaelides, P Hu
– Journal of the American Chemical Society
(2001)
123,
4235
A density functional theory study of the reaction of C+O, C+N, and C+H on close packed metal surfaces
A Michaelides, P Hu
– Journal of Chemical Physics
(2001)
114,
5792
Softened C–H modes of adsorbed methyl and their implications for dehydrogenation: An ab initio study
A Michaelides, P Hu
– The Journal of Chemical Physics
(2001)
114,
2523
Density functional theory study of hydroxyl and the intermediate in the water formation reaction on Pt
A Michaelides, P Hu
– Journal of Chemical Physics
(2001)
114,
513
Insight into Microscopic Reaction Pathways in Heterogeneous Catalysis
A Michaelides, P Hu
– Journal of the American Chemical Society
(2000)
122,
9866
A first principles study of CH3 dehydrogenation on Ni(111)
A Michaelides, P Hu
– Journal of Chemical Physics
(2000)
112,
8120
A density functional theory study of CH2 and H adsorption on Ni(111)
A Michaelides, P Hu
– Journal of Chemical Physics
(2000)
112,
6006
Methyl chemisorption on Ni(111) and C-H-M multicentre bonding: A density functional theory study
A Michaelides, P Hu
– Surface Science
(1999)
437,
362
Physical origin of the high reactivity of subsurface hydrogen in catalytic hydrogenation
A Michaelides, P Hu, A Alavi
– Journal of Chemical Physics
(1999)
111,
1343