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- Currently displaying 261 - 274 of 274 publications
New insights into ethene epoxidation on two oxidized Ag {111} surfaces
– J Am Chem Soc
(2003)
125,
5620
(doi: 10.1021/ja0297741)
Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces.
– J Am Chem Soc
(2003)
125,
3704
(doi: 10.1021/ja027366r)
Different surface chemistries of water on Ru[0001]: from monomer adsorption to partially dissociated bilayers.
– J Am Chem Soc
(2003)
125,
2746
(doi: 10.1021/ja028855u)
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{111}
– Chemical Physics Letters
(2003)
367,
344
Hydrogenation of S to H2S on Pt(111): A first-principles study
– The Journal of Chemical Physics
(2001)
115,
8570
(doi: 10.1063/1.1410390)
Catalytic Water Formation on Platinum: A First-Principles Study
– Journal of the American Chemical Society
(2001)
123,
4235
(doi: 10.1021/ja003576x)
A density functional theory study of the reaction of C+O, C+N, and C+H on close packed metal surfaces
– Journal of Chemical Physics
(2001)
114,
5792
(doi: 10.1063/1.1352731)
Softened C-H modes of adsorbed methyl and their implications for dehydrogenation: An ab initio study
– The Journal of Chemical Physics
(2001)
114,
2523
(doi: 10.1063/1.1345907)
Density functional theory study of hydroxyl and the intermediate in the water formation reaction on Pt
– The Journal of Chemical Physics
(2001)
114,
513
(doi: 10.1063/1.1328746)
Insight into Microscopic Reaction Pathways in Heterogeneous Catalysis
– Journal of the American Chemical Society
(2000)
122,
9866
(doi: 10.1021/ja0011919)
A first principles study of CH3 dehydrogenation on Ni(111)
– The Journal of Chemical Physics
(2000)
112,
8120
(doi: 10.1063/1.481412)
A density functional theory study of CH2 and H adsorption on Ni(111)
– The Journal of Chemical Physics
(2000)
112,
6006
(doi: 10.1063/1.481173)
Methyl chemisorption on Ni(111) and C H M multicentre bonding: a density functional theory study
– Surface Science
(1999)
437,
362
Physical origin of the high reactivity of subsurface hydrogen in catalytic hydrogenation
– Journal of Chemical Physics
(1999)
111,
1343
(doi: 10.1063/1.479392)