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- Currently displaying 241 - 260 of 322 publications
Visualization of hydrogen bonding and associated chirality in methanol hexamers.
Physical review letters
(2011)
107
256101
The Energy of Hydroxyl Coadsorbed with Water on Pt(111)
Journal of Physical Chemistry C
(2011)
115
23008
(doi: 10.1021/jp207350r)
Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
Physical Review Letters
(2011)
107
185701
Acetone adsorption on ice investigated by X-ray spectroscopy and density functional theory
Phys Chem Chem Phys
(2011)
13
19988
(doi: 10.1039/c1cp21493d)
Proton ordering in cubic ice and hexagonal ice; A potential new ice phase - XIc
Physical Chemistry Chemical Physics
(2011)
13
19788
(doi: 10.1039/c1cp22506e)
Large variation of vacancy formation energies in the surface of crystalline ice.
Nature materials
(2011)
10
794
(doi: 10.1038/NMAT3096)
Quantum nature of the hydrogen bond
Acta Crystallographica Section A Foundations of Crystallography
(2011)
67
c195
(doi: 10.1107/S0108767311095134)
Adsorption and diffusion of water on graphene from first principles
Physical Review B Condensed Matter and Materials Physics
(2011)
84
033402
(doi: 10.1103/PhysRevB.84.033402)
Trends in water monomer adsorption and dissociation on flat insulating surfaces.
Physical Chemistry Chemical Physics
(2011)
13
12447
(doi: 10.1039/c1cp20846b)
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
Physical Chemistry Chemical Physics
(2011)
13
13162
(doi: 10.1039/c1cp21077g)
Van der Waals density functionals applied to solids
Physical Review B Condensed Matter and Materials Physics
(2011)
83
195131
(doi: 10.1103/PhysRevB.83.195131)
Melting the ice: on the relation between melting temperature and size for nanoscale ice crystals.
ACS nano
(2011)
5
4562
(doi: 10.1021/nn200252w)
Quantum nature of the hydrogen bond
Proceedings of the National Academy of Sciences of the United States of America
(2011)
108
6369
(doi: 10.1073/pnas.1016653108)
Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations
The Journal of Chemical Physics
(2011)
134
134701
(doi: 10.1063/1.3569134)
Quantum nuclear effects on the location of hydrogen above and below the palladium (100) surface
Surface Science
(2011)
605
689
(doi: 10.1016/j.susc.2011.01.004)
c(2 x 2) Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum Defects
Physical review letters
(2011)
106
046103
To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals
Phys Rev Lett
(2011)
106
026101
Direct assessment of quantum nuclear effects on hydrogen bond strength by constrained-centroid ab initio path integral molecular dynamics
Journal of Chemical Physics
(2010)
133
174306
(doi: 10.1063/1.3505038)
