Müllegger, S., Rauls, E., Gerstmann, U., Tebi, S., Serrano, G., Wiespointner-Baumgarthuber, S.,https://doi.org/10.1103/physrevb.92.220418__Koch, R. (2015). Mechanism for nuclear and electron spin excitation by radio frequency current. Physical Review B, 92(22).https://doi.org/10.1103/physrevb.92.220418 

Aldahhak, H., Schmidt, W. G., &; Rauls, E. (2015). Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces. Surface Science, 278–281.https://doi.org/10.1016/j.susc.2015.01.013 

Aldahhak, H., Rauls, E., &; Schmidt, W. G. (2015). Diindenoperylene adsorption on Cu(111) studied with density-functional theory. Surface Science, 260–265.https://doi.org/10.1016/j.susc.2015.03.007 

Edler, F., Miccoli, I., Demuth, S., Pfnür, H., Wippermann, S., Lücke, A.,https://doi.org/10.1103/physrevb.92.085426__Tegenkamp, C. (2015). Interwire coupling forIn(4×1)/Si(111) probed by surface transport. Physical Review B, 92(8).https://doi.org/10.1103/physrevb.92.085426 

Baghbanpourasl, A., Schmidt, W. G., Denk, M., Cobet, C., Hohage, M., Zeppenfeld, P., &; Hingerl, K. (2015). Water adsorbate influence on the Cu(110) surface optical response. Surface Science, 641, 231–236.https://doi.org/10.1016/j.susc.2015.07.020 

Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., &; Schmidt, W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations. Journal of Computational Chemistry, 36(21–22), 1672–1685.https://doi.org/10.1002/jcc.23983 

Thissen, P., Fuchs, E., Roodenko, K., Peixoto, T., Batchelor, B., Smith, D.,https://doi.org/10.1021/acs.jpcc.5b03816__Chabal, Y. (2015). Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The Journal of Physical Chemistry C, 119, 16947–16953.https://doi.org/10.1021/acs.jpcc.5b03816 

Lücke, A., Schmidt, W. G., Rauls, E., Ortmann, F., &; Gerstmann, U. (2015). Influence of Structural Defects and Oxidation onto Hole Conductivity in HT. The Journal of Physical Chemistry B, 119, 6481–6491.https://doi.org/10.1021/acs.jpcb.5b03615 

Klein, C., Vollmers, N. J., Gerstmann, U., Zahl, P., Lükermann, D., Jnawali, G.,https://doi.org/10.1103/physrevb.91.195441__Horn-von Hoegen, M. (2015). Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films. Physical Review B, 91(19).https://doi.org/10.1103/physrevb.91.195441 

Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., &; Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics, 17, 8776–8783.https://doi.org/10.1039/c4cp05271d 

Sanson, A., Zaltron, A., Argiolas, N., Sada, C., Bazzan, M., Schmidt, W. G., &; Sanna, S. (2015). Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. Physical Review B, 91.https://doi.org/10.1103/physrevb.91.094109 

Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., &; Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B, 91.https://doi.org/10.1103/physrevb.91.035302 

Neuba, A., Rohrmüller, M., Hölscher, R., Schmidt, W. G., &; Henkel, G. (2015). A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry. Inorganica Chimica Acta, 430, 225–238.https://doi.org/10.1016/j.ica.2015.03.015 

Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., &; Schmidt, W. G. (2015). Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. Physical Review B, 91(22).https://doi.org/10.1103/physrevb.91.224302 

Li, Y., Sanna, S., &; Schmidt, W. G. (2014). Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. The Journal of Chemical Physics.https://doi.org/10.1063/1.4883737 

Hölscher, R., Schmidt, W. G., &; Sanna, S. (2014). Modeling LiNbO3 Surfaces at Ambient Conditions. The Journal of Physical Chemistry C, 10213–10220.https://doi.org/10.1021/jp502936f 

Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., &; Schmidt, W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal of Physical Chemistry C, 118, 29911–29918.https://doi.org/10.1021/jp509663s 

Oh, D. M., Wippermann, S., Schmidt, W. G., &; Yeom, H. W. (2014). Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations. Physical Review B, 90(15).https://doi.org/10.1103/physrevb.90.155432 

Hoffmann, A., Rohrmüller, M., Jesser, A., dos Santos Vieira, I., Schmidt, W. G., &; Herres-Pawlis, S. (2014). Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II). Journal of Computational Chemistry, 35(29–30), 2146–2161.https://doi.org/10.1002/jcc.23740 

Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., &; Schmidt, W. G. (2014). The atomic structure of ternary amorphous TixSi1xO2hybrid oxides. Journal of Physics: Condensed Matter, 26.https://doi.org/10.1088/0953-8984/26/25/253201