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- Currently displaying 261 - 280 of 322 publications
Structure and dynamics of liquid water on rutile TiO2(110)
Physical Review B Condensed Matter and Materials Physics
(2010)
82
161415
(doi: 10.1103/PhysRevB.82.161415)
Dynamics of quantum tunneling: Effects on the rate and transition path of OH on Cu(110)
Physical Review B Condensed Matter and Materials Physics
(2010)
81
153410
(doi: 10.1103/physrevb.81.153410)
Proton transfer in adsorbed water dimers
Physical chemistry chemical physics : PCCP
(2010)
12
3953
(doi: 10.1039/b924422k)
Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces
Physical review letters
(2010)
104
066102
Surface energy and surface proton order of the ice Ih basal and prism surfaces.
Journal of Physics Condensed Matter
(2010)
22
074209
A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes
Journal of Physics Condensed Matter
(2010)
22
074203
Positive charge States and possible polymorphism of gold nanoclusters on reduced ceria.
J Am Chem Soc
(2010)
132
2175
(doi: 10.1021/ja906687f)
The kaolinite (0 0 1) polar basal plane
Surface Science
(2010)
604
111
(doi: 10.1016/j.susc.2009.10.026)
Chemical accuracy for the van der Waals density functional
J Phys Condens Matter
(2009)
22
022201
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformations.
The Journal of Chemical Physics
(2009)
131
124509
(doi: 10.1063/1.3236840)
Experimental and theoretical study of oxygen adsorption structures on Ag(111)
Physical Review B Condensed Matter and Materials Physics
(2009)
80
075424
(doi: 10.1103/PhysRevB.80.075424)
Stone-Wales defects in graphene and other planarsp2-bonded materials
Physical Review B Condensed Matter and Materials Physics
(2009)
80
033407
(doi: 10.1103/physrevb.80.033407)
Local Investigation of Femtosecond Laser Induced Dynamics of Water Nanoclusters on Cu(111)
Physical review letters
(2009)
103
026101
Interfacial water: A first principles molecular dynamics study of a nanoscale water film on salt
The Journal of Chemical Physics
(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
The 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.
The 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)
On thin ice: surface order and disorder during pre-melting.
Faraday Discussions
(2009)
141
277
(doi: 10.1039/b807377p)
