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- Currently displaying 281 - 300 of 330 publications
Interfacial water: A first principles molecular dynamics study of a nanoscale water film on salt
J Chem Phys
(2009)
130
234702
(doi: 10.1063/1.3152845)
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces
Journal of Chemical Physics
(2009)
130
184707
(doi: 10.1063/1.3125002)
Anchoring sites for initial Au nucleation on ceo2{111}: o vacancy versus ce vacancy
Journal of Physical Chemistry C
(2009)
113
6411
(doi: 10.1021/jp810093a)
The water-benzene interaction: Insight from electronic structure theories
Journal of Chemical Physics
(2009)
130
154303
(doi: 10.1063/1.3111035)
A one-dimensional ice structure built from pentagons.
Nature Materials
(2009)
8
427
(doi: 10.1038/NMAT2403)
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)
Oxygen vacancy clusters on ceria: Decisive role of cerium f electrons
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.
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
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)
