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- Currently displaying 241 - 260 of 275 publications
Water on the hydroxylated (001) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer
Surface Science
(2008)
602
960
(doi: 10.1016/j.susc.2007.12.032)
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 microscope'
Faraday Discuss
(2007)
136
287
(doi: 10.1039/b616689j)
Density functional theory study of flat and stepped NaCl(001)
Physical Review B
(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.
Physical review letters
(2006)
97
046802
Revisiting the structure of the p(4×4) surface oxide on Ag(111)
Phys Rev Lett
(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
Physical Review Letters
(2004)
93
116101
Density functional theory study of the interaction of monomeric water with the Ag{111} surface
Physical Review B - Condensed Matter and Materials Physics
(2004)
69
205411
(doi: 10.1103/physrevb.69.205411)
Water dimer diffusion on Pd{111} assisted by an H-bond donor-acceptor tunneling exchange -: art. no. 136104
Phys Rev Lett
(2004)
92
136104
Insight intoH2O-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} -: art. no. 075409
Physical Review B
(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
(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}
Phys Rev Lett
(2003)
90
246103
