Landmann M, Rauls E, Schmidt WG. Chainlike AuO Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles. The Journal of Physical Chemistry C. 2009;113:5690-5699. doi:10.1021/jp810581s
LibreCat: /record/13661
DOI: 10.1021/jp810581s

Blankenburg S, Schmidt WG. Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions. Journal of Physics: Condensed Matter. 2009;21. doi:10.1088/0953-8984/21/18/185001
LibreCat: /record/13662
DOI: 10.1088/0953-8984/21/18/185001

Lange B, Posner R, Pohl K, et al. Water adsorption on hydrogenated Si(111) surfaces. Surface Science. 2009;603:60-64. doi:10.1016/j.susc.2008.10.030
LibreCat: /record/13664
DOI: 10.1016/j.susc.2008.10.030

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

Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter. 2009;21(39). doi:10.1088/0953-8984/21/39/395502
LibreCat: /record/13802
DOI: 10.1088/0953-8984/21/39/395502

Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC. Materials Science Forum. 2009;615-617:343-346. doi:10.4028/www.scientific.net/msf.615-617.343
LibreCat: /record/13844
DOI: 10.4028/www.scientific.net/msf.615-617.343

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

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

Blankenburg S, Schmidt WG. Spatial modulation of molecular adsorption energies due to indirect interaction. Physical Review B. 2008;78. doi:10.1103/physrevb.78.233411
LibreCat: /record/13667
DOI: 10.1103/physrevb.78.233411

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

Rauls E, Dijkstra SJ, Schmidt WG. Atomic structure and energetics of thec-GaN(001) surface. Physical Review B. 2008;78(11). doi:10.1103/physrevb.78.113302
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

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

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

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

Rakel M, Cobet C, Esser N, et al. GaN and InN conduction-band states studied by ellipsometry. Physical Review B. 2008;77(11). doi:10.1103/physrevb.77.115120
LibreCat: /record/13673
DOI: 10.1103/physrevb.77.115120

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

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

Schmidt WG, Albrecht M, Wippermann S, et al. LiNbO3ground- and excited-state properties from first-principles calculations. Physical Review B. 2008;77. doi:10.1103/physrevb.77.035106
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

Golde D, Meier T, Koch SW. High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations. Physical Review B. 2008;77(7). doi:10.1103/physrevb.77.075330
LibreCat: /record/23484
DOI: 10.1103/physrevb.77.075330

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