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360 Publications
2008 | Journal Article | LibreCat-ID: 13666
Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles
S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
LibreCat
| DOI
S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
2008 | Journal Article | LibreCat-ID: 13667
Spatial modulation of molecular adsorption energies due to indirect interaction
S. Blankenburg, W.G. Schmidt, Physical Review B 78 (2008).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Physical Review B 78 (2008).
2008 | Journal Article | LibreCat-ID: 13668
Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)
E. Rauls, W.G. Schmidt, Journal of Physical Chemistry C 112 (2008) 11490–11494.
LibreCat
| DOI
E. Rauls, W.G. Schmidt, Journal of Physical Chemistry C 112 (2008) 11490–11494.
2008 | Journal Article | LibreCat-ID: 13669
Atomic structure and energetics of thec-GaN(001) surface
E. Rauls, S.J. Dijkstra, W.G. Schmidt, Physical Review B 78 (2008).
LibreCat
| DOI
E. Rauls, S.J. Dijkstra, W.G. Schmidt, Physical Review B 78 (2008).
2008 | Journal Article | LibreCat-ID: 13670
DFT calculations of adenine adsorption on coin metal (110) surfaces
E. Rauls, S. Blankenburg, W.G. Schmidt, Surface Science 602 (2008) 2170–2174.
LibreCat
| DOI
E. Rauls, S. Blankenburg, W.G. Schmidt, Surface Science 602 (2008) 2170–2174.
2008 | Journal Article | LibreCat-ID: 13671
Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects
A. Hermann, W.G. Schmidt, P. Schwerdtfeger, Physical Review Letters 100 (2008).
LibreCat
| DOI
A. Hermann, W.G. Schmidt, P. Schwerdtfeger, Physical Review Letters 100 (2008).
2008 | Journal Article | LibreCat-ID: 13672
Theoretical study of the localization of excess electrons at the surface of ice
A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).
LibreCat
| DOI
A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).
2008 | Journal Article | LibreCat-ID: 13673
GaN and InN conduction-band states studied by ellipsometry
M. Rakel, C. Cobet, N. Esser, F. Fuchs, F. Bechstedt, R. Goldhahn, W.G. Schmidt, W. Schaff, Physical Review B 77 (2008).
LibreCat
| DOI
M. Rakel, C. Cobet, N. Esser, F. Fuchs, F. Bechstedt, R. Goldhahn, W.G. Schmidt, W. Schaff, Physical Review B 77 (2008).
2008 | Journal Article | LibreCat-ID: 13674
Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects
S. Wippermann, N. Koch, W.G. Schmidt, Physical Review Letters 100 (2008).
LibreCat
| DOI
S. Wippermann, N. Koch, W.G. Schmidt, Physical Review Letters 100 (2008).
2008 | Journal Article | LibreCat-ID: 13675
Ammonia adsorption on Cl/Si(001): First-principles calculations
B. Lange, W.G. Schmidt, Surface Science 602 (2008) 1207–1211.
LibreCat
| DOI
B. Lange, W.G. Schmidt, Surface Science 602 (2008) 1207–1211.
2008 | Journal Article | LibreCat-ID: 13676
LiNbO3ground- and excited-state properties from first-principles calculations
W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, A. Hermann, Physical Review B 77 (2008).
LibreCat
| DOI
W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, A. Hermann, Physical Review B 77 (2008).
2008 | Journal Article | LibreCat-ID: 23484
High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations
D. Golde, T. Meier, S.W. Koch, Physical Review B 77 (2008).
LibreCat
| DOI
D. Golde, T. Meier, S.W. Koch, Physical Review B 77 (2008).
2007 | Journal Article | LibreCat-ID: 13677
Ethanol adsorbed on ice: A first-principles study
C. Thierfelder, W.G. Schmidt, Physical Review B 76 (2007).
LibreCat
| DOI
C. Thierfelder, W.G. Schmidt, Physical Review B 76 (2007).
2007 | Journal Article | LibreCat-ID: 13678
Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
2007 | Journal Article | LibreCat-ID: 13680
Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
2007 | Journal Article | LibreCat-ID: 13681
Quantum conductance of In nanowires on Si(111) from first principles calculations
S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, A.A. Stekolnikov, K. Seino, F. Bechstedt, Surface Science (2007) 4045–4047.
LibreCat
| DOI
S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, A.A. Stekolnikov, K. Seino, F. Bechstedt, Surface Science (2007) 4045–4047.
2007 | Journal Article | LibreCat-ID: 13682
Atomic scale design of nanostructures
J. Bernholc, W. Lu, S.M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno Nardelli, W.G. Schmidt, Molecular Physics (2007) 147–156.
LibreCat
| DOI
J. Bernholc, W. Lu, S.M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno Nardelli, W.G. Schmidt, Molecular Physics (2007) 147–156.
2007 | Journal Article | LibreCat-ID: 13683
Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance
A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, Physical Review Letters 98 (2007).
LibreCat
| DOI
A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, Physical Review Letters 98 (2007).
2006 | Journal Article | LibreCat-ID: 13684
Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat
| DOI
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
2006 | Journal Article | LibreCat-ID: 13685
Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS
M. Preuss, F. Bechstedt, W.G. Schmidt, J. Sochos, B. Schröter, W. Richter, Physical Review B 74 (2006).
LibreCat
| DOI
M. Preuss, F. Bechstedt, W.G. Schmidt, J. Sochos, B. Schröter, W. Richter, Physical Review B 74 (2006).