Publikationen von Angelos Michaelides
Alle Typen
Zeitschriftenartikel (19)
1.
Zeitschriftenartikel
131 (12), S. 124509-1 - 124509-9 (2009)
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 2.
Zeitschriftenartikel
80 (7), 075424 (2009)
Experimental and theoretical study of oxygen adsorption structures on Ag(111). Physical Review B 3.
Zeitschriftenartikel
130 (18), S. 184707-1 - 184707-11 (2009)
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces. The Journal of Chemical Physics 4.
Zeitschriftenartikel
8, S. 427 - 431 (2009)
A one-dimensional ice structure built from pentagons. Nature Materials 5.
Zeitschriftenartikel
602 (23), S. L135 - L138 (2008)
How strong is the bond between water and salt? Surface Science 6.
Zeitschriftenartikel
129 (19), S. 194111-1 - 194111-14 (2008)
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. Journal of Chemical Physics 7.
Zeitschriftenartikel
101 (15), 155703 (2008)
Surface energy and surface proton order of ice Ih. Physical Review Letters 8.
Zeitschriftenartikel
101 (13), 136102 (2008)
Manipulation and control of hydrogen bond dynamics in adsorbed ice nanoclusters. Physical Review Letters 9.
Zeitschriftenartikel
130 (27), S. 8572 - 8573 (2008)
Density oscillations in a nanoscale water film on salt: Insight from ab initio molecular dynamics. Journal of the American Chemical Society 10.
Zeitschriftenartikel
602 (4), S. 960 - 974 (2008)
Water on the hydroxylated (0 0 1) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer. Surface Science 11.
Zeitschriftenartikel
127 (18), 184104 (2007)
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 12.
Zeitschriftenartikel
601 (23), S. 5378 - 5381 (2007)
Ice formation on kaolinite: Lattice match or amphoterism? Surface Science 13.
Zeitschriftenartikel
76 (7), 075401 (2007)
Density functional theory study of flat and stepped NaCl(001). Physical Review B 14.
Zeitschriftenartikel
136, S. 287 - 297 (2007)
Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’. Faraday Discussions 15.
Zeitschriftenartikel
6 (8), S. 597 - 601 (2007)
Ice nanoclusters at hydrophobic metal surfaces. Nature Materials 16.
Zeitschriftenartikel
85, S. 415 - 425 (2006)
Density functional theory simulations of water-metal interfaces: waltzing waters, a novel 2D ice phase, and more. Applied Physics A 17.
Zeitschriftenartikel
97 (4), 046802 (2006)
"Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces. Physical Review Letters 18.
Zeitschriftenartikel
96 (14), 146101 (2006)
Revisiting the structure of the p(4 x 4) surface oxide on Ag(111). Physical Review Letters 19.
Zeitschriftenartikel
23 (6), S. 1487 - 1497 (2005)
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system? The Journal of Vacuum Science and Technology A Hochschulschrift - Doktorarbeit (1)
20.
Hochschulschrift - Doktorarbeit
Density-Functional Theory Exchange-Correlation Functionals for Hydrogen Bonds in Water. Dissertation, Technische Universität Berlin, Berlin (2010)