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737 Publications
2017 | Journal Article | LibreCat-ID: 13420
Nozaki D, Schmidt WG. Current density analysis of electron transport through molecular wires in open quantum systems. Journal of Computational Chemistry. 2017;38:1685-1692. doi:10.1002/jcc.24812
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13421
Landmann M, Rauls E, Schmidt WG. 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. 2017;95(15). doi:10.1103/physrevb.95.155310
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13422
Witte M, Rohrmüller M, Gerstmann U, Henkel G, Schmidt WG, Herres-Pawlis S. [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. Journal of Computational Chemistry. 2017:1752-1761. doi:10.1002/jcc.24798
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13423
Tebi S, Paszkiewicz M, Aldahhak H, et al. On-Surface Site-Selective Cyclization of Corrole Radicals. ACS Nano. 2017:3383-3391. doi:10.1021/acsnano.7b00766
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| DOI
2017 | Journal Article | LibreCat-ID: 13424
Aldahhak H, Paszkiewicz M, Allegretti F, et al. X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization. The Journal of Physical Chemistry C. 2017;121:2192-2200. doi:10.1021/acs.jpcc.6b09935
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13425
Rohrmüller M, Schmidt WG, Gerstmann U. Electron paramagnetic resonance calculations for hydrogenated Si surfaces. Physical Review B. 2017;95(12). doi:10.1103/physrevb.95.125310
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13426
Edler F, Miccoli I, Stöckmann JP, et al. Tuning the conductivity along atomic chains by selective chemisorption. Physical Review B. 2017;95(12). doi:10.1103/physrevb.95.125409
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13427
Nozaki D, Lücke A, Schmidt WG. 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. 2017:727-732. doi:10.1021/acs.jpclett.6b02989
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10020
Landmann M, Rauls E, Schmidt WG. 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. 2017. doi:10.1103/physrevb.95.155310
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10021 | 
Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. Physical Review Materials. 2017;1(3). doi:10.1103/PhysRevMaterials.1.034401
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2017 | Journal Article | LibreCat-ID: 10023 |
Schmidt F, Landmann M, Rauls E, et al. Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory. Advances in Materials Science and Engineering. 2017;2017. doi:10.1155/2017/3981317
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2017 | Journal Article | LibreCat-ID: 13803
Giannozzi P, Andreussi O, Brumme T, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter. 2017;29(46). doi:10.1088/1361-648x/aa8f79
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13359
Ma X, Egorov OA, Schumacher S. Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates. Physical Review Letters. 2017;118(15). doi:10.1103/physrevlett.118.157401
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13356
Ma X, Schumacher S. Vortex-vortex control in exciton-polariton condensates. Physical Review B. 2017;95(23). doi:10.1103/physrevb.95.235301
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13358
Vollbrecht J, Wiebeler C, Schumacher S, Bock H, Kitzerow H-S. Enhanced columnar mesophase range through distortions in arene cores. Molecular Crystals and Liquid Crystals. Published online 2017:66-73. doi:10.1080/15421406.2017.1284387
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13289
Yulin A, Driben R, Meier T. Bloch oscillations and resonant radiation of light propagating in arrays of nonlinear fibers with high-order dispersion. Physical Review A. 2017;96(3). doi:10.1103/physreva.96.033827
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13332
Podzimski R, Duc HT, Meier T. Anisotropic excitons and their contributions to shift current transients in bulk GaAs. Physical Review B. 2017;96(20). doi:10.1103/physrevb.96.205201
LibreCat
| DOI
2017 | Conference Paper | LibreCat-ID: 13334
Podzimski R, Duc HT, Meier T. A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors. In: Betz M, Elezzabi AY, eds. Ultrafast Phenomena and Nanophotonics XXI. Vol 10102. SPIE Proceedings. SPIE; 2017. doi:10.1117/12.2250299
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13288
Driben R, Konotop VV, Meier T, Yulin AV. Bloch oscillations sustained by nonlinearity. Scientific Reports. 2017;7(1). doi:10.1038/s41598-017-03400-w
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 16317
Zimmer P, Burkhardt L, Friedrich A, et al. The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study. Inorganic Chemistry. Published online 2017:360-373. doi:10.1021/acs.inorgchem.7b02624
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