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- Currently displaying 301 - 320 of 322 publications
Novel Water Overlayer Growth on Pd(111) Characterized with Scanning Tunneling Microscopy and Density Functional Theory
Physical review letters
(2004)
93
116101
Density functional theory study of the interaction of monomeric water with the Ag{111} surface -: art. no. 205411
Physical Review B Condensed Matter and Materials Physics
(2004)
69
1
(doi: 10.1103/PhysRevB.69.205411)
Water dimer diffusion on Pd[111] assisted by an H-bond donor-acceptor tunneling exchange.
Phys Rev Lett
(2004)
92
136104
Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations
Physical Review B
(2004)
69
113404
(doi: 10.1103/physrevb.69.113404)
First-principles study of H2O diffusion on a metal surface: H2O on Al(100)
Physical Review B
(2004)
69
075409
(doi: 10.1103/PhysRevB.69.075409)
Initial stages in the oxidation and reduction of the 4x4 surface oxide phase on Ag{111}: A combined density-functional theory and STM simulation study
Physical Review B
(2003)
68
075413
(doi: 10.1103/physrevb.68.075413)
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption onW{100}
Physical review letters
(2003)
90
246103/4
General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces
Phys Rev Lett
(2003)
90
216102
New insights into ethene epoxidation on two oxidized Ag[111] surfaces.
Journal of the American Chemical Society
(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{1 1 1}
Chemical Physics Letters
(2003)
367
344
Hydrogenation of S to H2S on Pt(111): A first-principles study
Journal of Chemical Physics
(2001)
115
8570
(doi: 10.1063/1.1410390)
Catalytic Water Formation on Platinum: A First-Principles Study
J Am Chem Soc
(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
Journal of Chemical Physics
(2001)
114
2523
(doi: 10.1063/1.1345907)
A density functional theory study of hydroxyl and the intermediate in the water formation reaction on Pt
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)
