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- Currently displaying 201 - 220 of 244 publications
Oxygen vacancy clusters on ceria: Decisive role of ceriumfelectrons
– Physical Review B
(2009)
79,
075433
(doi: 10.1103/physrevb.79.075433)
On thin ice: surface order and disorder during pre-melting
– Faraday discussions
(2009)
141,
277
(doi: 10.1039/b807377p)
How strong is the bond between water and salt?
– Surface Science
(2008)
602,
L135
(doi: 10.1016/j.susc.2008.09.039)
Structure of gold atoms on stoichiometric and defective ceria surfaces.
– The Journal of chemical physics
(2008)
129,
194708
(doi: 10.1063/1.3009629)
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
– The Journal of chemical physics
(2008)
129,
194111
(doi: 10.1063/1.3012573)
Surface energy and surface proton order of ice Ih
– Physical review letters
(2008)
101,
155703
Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters
– Phys Rev Lett
(2008)
101,
136102
Density oscillations in a nanoscale water film on salt: insight from ab initio molecular dynamics.
– Journal of the American Chemical Society
(2008)
130,
8572
(doi: 10.1021/ja8014296)
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
– The 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)
Ice nanoclusters at hydrophobic metal surfaces
– Nature materials
(2007)
6,
597
(doi: 10.1038/nmat1940)
Density functional theory simulations of water-metal interfaces: Waltzing waters, a novel 2D ice phase, and more
– Applied Physics A: Materials Science and Processing
(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(4×4) surface oxide on Ag(111)
– Physical Review Letters
(2006)
96,
146101