Landmann, M., Rauls, E., &; Schmidt, W. G. (2009). First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen. Physical Review B, 79(4).https://doi.org/10.1103/physrevb.79.045412 
LibreCat: /record/13665
DOI: 10.1103/physrevb.79.045412

Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C.,https://doi.org/10.1088/0953-8984/21/39/395502__Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter, 21(39).https://doi.org/10.1088/0953-8984/21/39/395502 
LibreCat: /record/13802
DOI: 10.1088/0953-8984/21/39/395502

Wippermann, S., &; Schmidt, W. G. (2008). Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array. Surface Science, 603, 247–250.https://doi.org/10.1016/j.susc.2008.11.013 
LibreCat: /record/13663
DOI: 10.1016/j.susc.2008.11.013

Wippermann, S., &; Schmidt, W. G. (2008). Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles. Physical Review B, 78(23).https://doi.org/10.1103/physrevb.78.235439 
LibreCat: /record/13666
DOI: 10.1103/physrevb.78.235439

Blankenburg, S., &; Schmidt, W. G. (2008). Spatial modulation of molecular adsorption energies due to indirect interaction. Physical Review B, 78.https://doi.org/10.1103/physrevb.78.233411 
LibreCat: /record/13667
DOI: 10.1103/physrevb.78.233411

Rauls, E., &; Schmidt, W. G. (2008). Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110). Journal of Physical Chemistry C, 112, 11490–11494.https://doi.org/10.1021/jp8037297 
LibreCat: /record/13668
DOI: 10.1021/jp8037297

Rauls, E., Dijkstra, S. J., &; Schmidt, W. G. (2008). Atomic structure and energetics of thec-GaN(001) surface. Physical Review B, 78(11).https://doi.org/10.1103/physrevb.78.113302 
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

Rauls, E., Blankenburg, S., &; Schmidt, W. G. (2008). DFT calculations of adenine adsorption on coin metal (110) surfaces. Surface Science, 602, 2170–2174.https://doi.org/10.1016/j.susc.2008.04.029 
LibreCat: /record/13670
DOI: 10.1016/j.susc.2008.04.029

Hermann, A., Schmidt, W. G., &; Schwerdtfeger, P. (2008). Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects. Physical Review Letters, 100(20).https://doi.org/10.1103/physrevlett.100.207403 
LibreCat: /record/13671
DOI: 10.1103/physrevlett.100.207403

Hermann, A., Schwerdtfeger, P., &; Schmidt, W. G. (2008). Theoretical study of the localization of excess electrons at the surface of ice. Journal of Physics: Condensed Matter, 20.https://doi.org/10.1088/0953-8984/20/22/225003 
LibreCat: /record/13672
DOI: 10.1088/0953-8984/20/22/225003

Wippermann, S., Koch, N., &; Schmidt, W. G. (2008). Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects. Physical Review Letters, 100(10).https://doi.org/10.1103/physrevlett.100.106802 
LibreCat: /record/13674
DOI: 10.1103/physrevlett.100.106802

Lange, B., &; Schmidt, W. G. (2008). Ammonia adsorption on Cl/Si(001): First-principles calculations. Surface Science, 602, 1207–1211.https://doi.org/10.1016/j.susc.2008.01.024 
LibreCat: /record/13675
DOI: 10.1016/j.susc.2008.01.024

Schmidt, W. G., Albrecht, M., Wippermann, S., Blankenburg, S., Rauls, E., Fuchs, F.,https://doi.org/10.1103/physrevb.77.035106__Hermann, A. (2008). LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B, 77.https://doi.org/10.1103/physrevb.77.035106 
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

Thierfelder, C., &; Schmidt, W. G. (2007). Ethanol adsorbed on ice: A first-principles study. Physical Review B, 76(19).https://doi.org/10.1103/physrevb.76.195426 
LibreCat: /record/13677
DOI: 10.1103/physrevb.76.195426

Blankenburg, S., &; Schmidt, W. G. (2007). Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer. Physical Review Letters, 99(19).https://doi.org/10.1103/physrevlett.99.196107 
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

Blankenburg, S., &; Schmidt, W. G. (2007). Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110). Nanotechnology, 18.https://doi.org/10.1088/0957-4484/18/42/424030 
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

Wippermann, S., Schmidt, W. G., Calzolari, A., Nardelli, M. B., Stekolnikov, A. A., Seino, K., &; Bechstedt, F. (2007). Quantum conductance of In nanowires on Si(111) from first principles calculations. Surface Science, 4045–4047.https://doi.org/10.1016/j.susc.2007.04.053 
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

Stekolnikov, A. A., Seino, K., Bechstedt, F., Wippermann, S., Schmidt, W. G., Calzolari, A., &; Nardelli, M. B. (2007). Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance. Physical Review Letters, 98(2).https://doi.org/10.1103/physrevlett.98.026105 
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

Schulz, S., Schumacher, S., &; Czycholl, G. (2006). Tight-binding model for semiconductor quantum dots with a wurtzite crystal structure: From one-particle properties to Coulomb correlations and optical spectra. Physical Review B.https://doi.org/10.1103/physrevb.73.245327 
LibreCat: /record/15848
DOI: 10.1103/physrevb.73.245327

Letzig, T., Willig, F., Hahn, P. H., &; Schmidt, W. G. (2006). Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface. Physical Review B, 74(24).https://doi.org/10.1103/physrevb.74.245307 
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307