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- Currently displaying 301 - 320 of 345 publications
Oxygen vacancy clusters on ceria: Decisive role of cerium f electrons
Physical Review B Condensed Matter and Materials Physics
(2009)
79
(doi: 10.1103/PhysRevB.79.075433)
On thin ice: surface order and disorder during pre-melting
Faraday Discuss
(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
Physical review letters
(2008)
101
136102
Water, water everywhere?
Chemistry World
(2008)
5
36
Density Oscillations in a Nanoscale Water Film on Salt: Insight from Ab Initio Molecular Dynamics
J Am Chem Soc
(2008)
130
8572
(doi: 10.1021/ja8014296)
Water on the hydroxylated (0 0 1) 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 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
Physical review letters
(2006)
97
046802
