Showing results (31-40 of 199) with videos related to
Sort By:
Pageof 20
The Journal of Chemical Physics|May 20, 2009
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfacesJavier Carrasco, Angelos Michaelides, Matthias SchefflerPhysical Review Letters|October 13, 2007
Ultrathin oxides: bulk-oxide-like model surfaces or unique films?Christoph Freysoldt, Patrick Rinke, Matthias SchefflerThe Journal of Chemical Physics|November 21, 2007
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limitBiswajit Santra, Angelos Michaelides, Matthias SchefflerThe Journal of Chemical Physics|October 2, 2009
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformationsBiswajit Santra, Angelos Michaelides, Matthias SchefflerPhysical Review Letters|August 8, 2009
Structural stability and magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: a density-functional theory studyBjörn Hülsen, Matthias Scheffler, Peter KratzerPhysical Review Letters|May 16, 2007
Towards an exact treatment of exchange and correlation in materials: application to the "CO adsorption puzzle" and other systemsQing-Miao Hu, Karsten Reuter, Matthias SchefflerThe Journal of Chemical Physics|October 17, 2015
Insight into organic reactions from the direct random phase approximation and its correctionsAdrienn Ruzsinszky, Igor Ying Zhang, Matthias SchefflerPhysical Review Letters|July 15, 2003
Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalystWei-Xue Li, Catherine Stampfl, Matthias SchefflerPhysical Review Letters|March 24, 2005
Preserving the half-metallicity at the Heusler alloy Co2MnSi(001) surface: a density functional theory studyS Javad Hashemifar, Peter Kratzer, Matthias SchefflerPhysical Review Letters|May 17, 2011
Beyond the random-phase approximation for the electron correlation energy: the importance of single excitationsXinguo Ren, Alexandre Tkatchenko, Patrick Rinke, et al.Pageof 20