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737 Publications
2017 | Journal Article | LibreCat-ID: 13420
Nozaki, D., & Schmidt, W. G. (2017). Current density analysis of electron transport through molecular wires in open quantum systems. Journal of Computational Chemistry, 38, 1685–1692. https://doi.org/10.1002/jcc.24812
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13421
Landmann, M., Rauls, E., & Schmidt, W. G. (2017). Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. Physical Review B, 95(15). https://doi.org/10.1103/physrevb.95.155310
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13422
Witte, M., Rohrmüller, M., Gerstmann, U., Henkel, G., Schmidt, W. G., & Herres-Pawlis, S. (2017). [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. Journal of Computational Chemistry, 1752–1761. https://doi.org/10.1002/jcc.24798
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13423
Tebi, S., Paszkiewicz, M., Aldahhak, H., Allegretti, F., Gonglach, S., Haas, M., … Müllegger, S. (2017). On-Surface Site-Selective Cyclization of Corrole Radicals. ACS Nano, 3383–3391. https://doi.org/10.1021/acsnano.7b00766
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13424
Aldahhak, H., Paszkiewicz, M., Allegretti, F., Duncan, D. A., Tebi, S., Deimel, P. S., … Gerstmann, U. (2017). X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization. The Journal of Physical Chemistry C, 121, 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13425
Rohrmüller, M., Schmidt, W. G., & Gerstmann, U. (2017). Electron paramagnetic resonance calculations for hydrogenated Si surfaces. Physical Review B, 95(12). https://doi.org/10.1103/physrevb.95.125310
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13426
Edler, F., Miccoli, I., Stöckmann, J. P., Pfnür, H., Braun, C., Neufeld, S., … Tegenkamp, C. (2017). Tuning the conductivity along atomic chains by selective chemisorption. Physical Review B, 95(12). https://doi.org/10.1103/physrevb.95.125409
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13427
Nozaki, D., Lücke, A., & Schmidt, W. G. (2017). Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing. The Journal of Physical Chemistry Letters, 727–732. https://doi.org/10.1021/acs.jpclett.6b02989
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10020
Landmann, M., Rauls, E., & Schmidt, W. G. (2017). Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. Physical Review B. https://doi.org/10.1103/physrevb.95.155310
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10021 | 
Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. Physical Review Materials, 1(3). https://doi.org/10.1103/PhysRevMaterials.1.034401
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| WoS
2017 | Journal Article | LibreCat-ID: 10023 |
Schmidt, F., Landmann, M., Rauls, E., Argiolas, N., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2017). Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory. Advances in Materials Science and Engineering, 2017. https://doi.org/10.1155/2017/3981317
LibreCat
| Files available
| DOI
| WoS
2017 | Journal Article | LibreCat-ID: 13803
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., … Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46). https://doi.org/10.1088/1361-648x/aa8f79
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13359
Ma, X., Egorov, O. A., & Schumacher, S. (2017). Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates. Physical Review Letters, 118(15), Article 157401. https://doi.org/10.1103/physrevlett.118.157401
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13356
Ma, X., & Schumacher, S. (2017). Vortex-vortex control in exciton-polariton condensates. Physical Review B, 95(23), Article 235301. https://doi.org/10.1103/physrevb.95.235301
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13358
Vollbrecht, J., Wiebeler, C., Schumacher, S., Bock, H., & Kitzerow, H.-S. (2017). Enhanced columnar mesophase range through distortions in arene cores. Molecular Crystals and Liquid Crystals, 66–73. https://doi.org/10.1080/15421406.2017.1284387
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13289
Yulin, A., Driben, R., & Meier, T. (2017). Bloch oscillations and resonant radiation of light propagating in arrays of nonlinear fibers with high-order dispersion. Physical Review A, 96(3), Article 033827. https://doi.org/10.1103/physreva.96.033827
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13332
Podzimski, R., Duc, H. T., & Meier, T. (2017). Anisotropic excitons and their contributions to shift current transients in bulk GaAs. Physical Review B, 96(20), Article 205201. https://doi.org/10.1103/physrevb.96.205201
LibreCat
| DOI
2017 | Conference Paper | LibreCat-ID: 13334
Podzimski, R., Duc, H. T., & Meier, T. (2017). A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors. In M. Betz & A. Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXI (No. 101020P; Vol. 10102). SPIE. https://doi.org/10.1117/12.2250299
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13288
Driben, R., Konotop, V. V., Meier, T., & Yulin, A. V. (2017). Bloch oscillations sustained by nonlinearity. Scientific Reports, 7(1), Article 3194. https://doi.org/10.1038/s41598-017-03400-w
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 16317
Zimmer, P., Burkhardt, L., Friedrich, A., Steube, J., Neuba, A., Schepper, R., Müller, P., Flörke, U., Huber, M., Lochbrunner, S., & Bauer, M. (2017). The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study. Inorganic Chemistry, 360–373. https://doi.org/10.1021/acs.inorgchem.7b02624
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