O 33: Methods: Electronic structure theory II
Wednesday, March 25, 2009, 10:30–12:00, SCH A316
 |
10:30 |
O 33.1 |
Exploring the Interaction between Graphene Sheets: a Local xc Correction Study — •Andrea Sanfilippo, Xinguo Ren, Patrick Rinke, Alexander Tkatchenko, Volker Blum, Matthias Scheffler, and Karsten Reuter
|
|
|
|
10:45 |
O 33.2 |
Density functional study of the adsorption of Aspirin on (001) surface of α-quartz — •Afshin Abbasi, Ebrahim Nadimi, Philipp Plänitz, and Christian Radehaus
|
|
|
|
11:00 |
O 33.3 |
Tailoring the electronic properties of LaAlO3 films on SrTiO3(001) via a SrTiO3-capping layer — •Katrin Otte, Rossitza Pentcheva, and Warren E. Pickett
|
|
|
|
11:15 |
O 33.4 |
On the accuracy of DFT exchange-correlation functionals for hydrogen bonds in small water clusters — •B. Santra, A. Michaelides, and M. Scheffler
|
|
|
|
11:30 |
O 33.5 |
Subsurface Confinement of Oxygen Vacancies in Anatase TiO2 — •Annabella Selloni and Hongzhi Chen
|
|
|
|
11:45 |
O 33.6 |
Trapping of electrons on ice surfaces: an ab initio study — •M. Bockstedte, F. Baletto, S. Scandolo, and A. Rubio
|
|
|
