A. Neuba, M. Rohrmüller, R. Hölscher, W. G. Schmidt, and G. Henkel, “A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry,” Inorganica Chimica Acta, vol. 430, pp. 225–238, 2015.
LibreCat: /record/13818
DOI: 10.1016/j.ica.2015.03.015

R. Driben, T. Meier, and B. A. Malomed, “Creation of vortices by torque in multidimensional media with inhomogeneous defocusing nonlinearity,”10.1038/srep09420__Scientific Reports, vol. 5, Art. no. 9420, 2015, doi:10.1038/srep09420 .
LibreCat: /record/13935
DOI: 10.1038/srep09420

H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,”10.1088/0953-8984/27/44/445501__Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi:10.1088/0953-8984/27/44/445501 .
LibreCat: /record/13922
DOI: 10.1088/0953-8984/27/44/445501

H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,”10.1088/0953-8984/27/44/445501__Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi:10.1088/0953-8984/27/44/445501 .
LibreCat: /record/22946
DOI: 10.1088/0953-8984/27/44/445501

R. Podzimski, H. T. Duc, and T. Meier, “Time-domain calculations of shift currents in bulk GaAs,”10.1117/12.2078123__in SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX, 2015, vol. 9361, doi:10.1117/12.2078123 .
LibreCat: /record/22950
DOI: 10.1117/12.2078123

S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, and W. G. Schmidt, “Raman scattering efficiency in LiTaO3 and LiNbO3 crystals,”10.1103/physrevb.91.224302__Physical Review B, vol. 91, no. 22, 2015, doi:10.1103/physrevb.91.224302 .
LibreCat: /record/4332
DOI: 10.1103/physrevb.91.224302

H. Riesen, C. Wiebeler, and S. Schumacher, “Optical Spectroscopy of Graphene Quantum Dots: The Case of 2,” The Journal of Physical Chemistry A, pp. 5189–5195, 2014.
LibreCat: /record/15861
DOI: 10.1021/jp502753a

C. Wiebeler and S. Schumacher, “Quantum Yields and Reaction Times of Photochromic Diarylethenes: Nonadiabatic Ab Initio Molecular Dynamics for Normal- and Inverse-Type,” The Journal of Physical Chemistry A, pp. 7816–7823, 2014.
LibreCat: /record/15862
DOI: 10.1021/jp506316w

P. Lewandowski et al., “Formation and control of transverse patterns in a quantum fluid of microcavity polaritons,” in Ultrafast Phenomena and Nanophotonics XVIII, 2014.
LibreCat: /record/15865
DOI: 10.1117/12.2037174

T. Graf and M. Platzner, “Common Fate Graph Patterns in Monte Carlo Tree Search for Computer Go,” in 2014 IEEE Conference on Computational Intelligence and Games, 2014, pp. 1–8.
LibreCat: /record/13154
DOI: 10.1109/CIG.2014.6932863

Y. Li, S. Sanna, and W. G. Schmidt, “Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model,” The Journal of Chemical Physics, 2014.
LibreCat: /record/10035
DOI: 10.1063/1.4883737

R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014.
LibreCat: /record/10036
DOI: 10.1021/jp502936f

Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014.
LibreCat: /record/13508
DOI: 10.1021/jp509663s

D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations,” Physical Review B, vol. 90, no. 15, 2014.
LibreCat: /record/13509
DOI: 10.1103/physrevb.90.155432

A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt, and S. Herres-Pawlis, “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, vol. 35, no. 29–30, pp. 2146–2161, 2014.
LibreCat: /record/13510
DOI: 10.1002/jcc.23740

M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, 2014.
LibreCat: /record/13511
DOI: 10.1088/0953-8984/26/25/253201

U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical Review B, vol. 89, no. 16, 2014.
LibreCat: /record/13513
DOI: 10.1103/physrevb.89.165431

S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” Applied Surface Science, pp. 70–78, 2014.
LibreCat: /record/13515
DOI: 10.1016/j.apsusc.2014.01.104

S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory,” Physical Review B, vol. 89, no. 7, 2014.
LibreCat: /record/13516
DOI: 10.1103/physrevb.89.075403

J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, and H.-S. Kitzerow, “Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties,”10.1002/chem.201403287__Chemistry - A European Journal, pp. 12026–12031, 2014, doi:10.1002/chem.201403287 .
LibreCat: /record/15863
DOI: 10.1002/chem.201403287