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347 Publications
2009 | Journal Article | LibreCat-ID: 13661
Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles.” The Journal of Physical Chemistry C 113 (2009): 5690–99. https://doi.org/10.1021/jp810581s.
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2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter 21 (2009). https://doi.org/10.1088/0953-8984/21/18/185001.
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2009 | Journal Article | LibreCat-ID: 13664
Lange, B., R. Posner, K. Pohl, C. Thierfelder, Guido Grundmeier, S. Blankenburg, and Wolf Gero Schmidt. “Water Adsorption on Hydrogenated Si(111) Surfaces.” Surface Science 603 (2009): 60–64. https://doi.org/10.1016/j.susc.2008.10.030.
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2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., E. Rauls, and Wolf Gero Schmidt. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.” Physical Review B 79, no. 4 (2009). https://doi.org/10.1103/physrevb.79.045412.
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2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” Journal of Physics: Condensed Matter 21, no. 39 (2009). https://doi.org/10.1088/0953-8984/21/39/395502.
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2009 | Journal Article | LibreCat-ID: 13844
Savchenko, D.V., Andreas Pöppl, Ekaterina N. Kalabukhova, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” Materials Science Forum 615–617 (2009): 343–46. https://doi.org/10.4028/www.scientific.net/msf.615-617.343.
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2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.” Surface Science 603 (2008): 247–50. https://doi.org/10.1016/j.susc.2008.11.013.
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2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.” Physical Review B 78, no. 23 (2008). https://doi.org/10.1103/physrevb.78.235439.
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2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.” Physical Review B 78 (2008). https://doi.org/10.1103/physrevb.78.233411.
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2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).” Journal of Physical Chemistry C 112 (2008): 11490–94. https://doi.org/10.1021/jp8037297.
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2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., S. J. Dijkstra, and Wolf Gero Schmidt. “Atomic Structure and Energetics of Thec-GaN(001) Surface.” Physical Review B 78, no. 11 (2008). https://doi.org/10.1103/physrevb.78.113302.
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2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.” Surface Science 602 (2008): 2170–74. https://doi.org/10.1016/j.susc.2008.04.029.
LibreCat
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2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., Wolf Gero Schmidt, and P. Schwerdtfeger. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.” Physical Review Letters 100, no. 20 (2008). https://doi.org/10.1103/physrevlett.100.207403.
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2008 | Journal Article | LibreCat-ID: 13672
Hermann, A, P Schwerdtfeger, and Wolf Gero Schmidt. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.” Journal of Physics: Condensed Matter 20 (2008). https://doi.org/10.1088/0953-8984/20/22/225003.
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2008 | Journal Article | LibreCat-ID: 13673
Rakel, Munise, Christoph Cobet, Norbert Esser, Frank Fuchs, Friedhelm Bechstedt, Rüdiger Goldhahn, Wolf Gero Schmidt, and William Schaff. “GaN and InN Conduction-Band States Studied by Ellipsometry.” Physical Review B 77, no. 11 (2008). https://doi.org/10.1103/physrevb.77.115120.
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2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., N. Koch, and Wolf Gero Schmidt. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.” Physical Review Letters 100, no. 10 (2008). https://doi.org/10.1103/physrevlett.100.106802.
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2008 | Journal Article | LibreCat-ID: 13675
Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.” Surface Science 602 (2008): 1207–11. https://doi.org/10.1016/j.susc.2008.01.024.
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2008 | Journal Article | LibreCat-ID: 13676
Schmidt, Wolf Gero, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, and A. Hermann. “LiNbO3ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B 77 (2008). https://doi.org/10.1103/physrevb.77.035106.
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2008 | Journal Article | LibreCat-ID: 23484
Golde, D., T. Meier, and S. W. Koch. “High Harmonics Generated in Semiconductor Nanostructures by the Coupled Dynamics of Optical Inter- and Intraband Excitations.” Physical Review B 77, no. 7 (2008). https://doi.org/10.1103/physrevb.77.075330.
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2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.” Physical Review B 76, no. 19 (2007). https://doi.org/10.1103/physrevb.76.195426.
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