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- Currently displaying 241 - 260 of 274 publications
Ice formation on kaolinite: Lattice match or amphoterism?
Surface Science
(2007)
601
5378
(doi: 10.1016/j.susc.2007.09.012)
Asset pricing with limited risk sharing and heterogeneous agents
Review of Financial Studies
(2007)
21
415
(doi: 10.1093/rfs/hhm063)
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
Journal of Chemical Physics
(2007)
127
184104
(doi: 10.1063/1.2790009)
The unhappy marriage of transition and noble metal atoms: A new way to enhance catalytic activity? (A perspective on: "When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces" by O.R. Inderwildi, S.J. Jenkins, D.A. King)
Surface Science
(2007)
601
3529
(doi: 10.1016/j.susc.2007.06.065)
Simulating ice nucleation, one molecule at a time, with the 'DFT microseope'
Faraday Discussions
(2007)
136
287
(doi: 10.1039/b616689j)
Density functional theory study of flat and stepped NaCl(001)
Physical Review B Condensed Matter and Materials Physics
(2007)
76
075401
(doi: 10.1103/PhysRevB.76.075401)
Density functional theory simulations of water–metal interfaces: waltzing waters, a novel 2D ice phase, and more
Applied Physics A
(2006)
85
415
(doi: 10.1007/s00339-006-3695-9)
"textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces
Phys Rev Lett
(2006)
97
046802
Revisiting the structure of the p(4 x 4) surface oxide on Ag(111).
Physical review letters
(2006)
96
146101
EXPLORING THE CATALYTIC ACTIVITY OF A NOBLE METAL: THE Ag CATALYZED ETHYLENE EPOXIDATION REACTION
(2006)
389
(doi: 10.1142/9781860948053_0014)
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films
(2005)
23
1487
(doi: 10.1116/1.2049302)
Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory -: art. no. 116101
Physical Review Letters
(2004)
93
1
Density functional theory study of the interaction of monomeric water with the Ag{111} surface
Physical Review B
(2004)
69
1
(doi: 10.1103/physrevb.69.205411)
Water dimer diffusion on Pd[111] assisted by an H-bond donor-acceptor tunneling exchange.
Physical Review Letters
(2004)
92
136104
Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations -: art. no. 113404
Physical Review B Condensed Matter and Materials Physics
(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 Condensed Matter and Materials Physics
(2004)
69
075409
(doi: 10.1103/PhysRevB.69.075409)
Initial stages in the oxidation and reduction of the4×4surface oxide phase on Ag{111}: A combined density-functional theory and STM simulation study
Physical Review B Condensed Matter and Materials Physics
(2003)
68
075413
(doi: 10.1103/PhysRevB.68.075413)
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on [Formula presented]
Physical Review Letters
(2003)
90
246103/4
General model for water monomer adsorption on close-packed transition and noble metal surfaces.
Physical review letters
(2003)
90
216102
