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737 Publications
2017 | Journal Article | LibreCat-ID: 13420
Nozaki, Daijiro, and Wolf Gero Schmidt. “Current Density Analysis of Electron Transport through Molecular Wires in Open Quantum Systems.” Journal of Computational Chemistry, vol. 38, 2017, pp. 1685–92, doi:10.1002/jcc.24812.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13421
Landmann, M., et al. “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, vol. 95, no. 15, 2017, doi:10.1103/physrevb.95.155310.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13422
Witte, Matthias, et al. “[Cu6(NGuaS)6]2+ and Its Oxidized and Reduced Derivatives: Confining Electrons on a Torus.” Journal of Computational Chemistry, 2017, pp. 1752–61, doi:10.1002/jcc.24798.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13423
Tebi, Stefano, et al. “On-Surface Site-Selective Cyclization of Corrole Radicals.” ACS Nano, 2017, pp. 3383–91, doi:10.1021/acsnano.7b00766.
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| DOI
2017 | Journal Article | LibreCat-ID: 13424
Aldahhak, Hazem, et al. “X-Ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization.” The Journal of Physical Chemistry C, vol. 121, 2017, pp. 2192–200, doi:10.1021/acs.jpcc.6b09935.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13425
Rohrmüller, M., et al. “Electron Paramagnetic Resonance Calculations for Hydrogenated Si Surfaces.” Physical Review B, vol. 95, no. 12, 2017, doi:10.1103/physrevb.95.125310.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13426
Edler, F., et al. “Tuning the Conductivity along Atomic Chains by Selective Chemisorption.” Physical Review B, vol. 95, no. 12, 2017, doi:10.1103/physrevb.95.125409.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13427
Nozaki, Daijiro, et al. “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, pp. 727–32, doi:10.1021/acs.jpclett.6b02989.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10020
Landmann, M., et al. “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, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials, vol. 1, no. 3, 034401, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.034401.
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2017 | Journal Article | LibreCat-ID: 10023 |
Schmidt, Falko, et al. “Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory.” Advances in Materials Science and Engineering, vol. 2017, 3981317, Hindawi, 2017, doi:10.1155/2017/3981317.
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| WoS
2017 | Journal Article | LibreCat-ID: 13803
Giannozzi, P., et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” Journal of Physics: Condensed Matter, vol. 29, no. 46, 465901, 2017, doi:10.1088/1361-648x/aa8f79.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13359
Ma, Xuekai, et al. “Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates.” Physical Review Letters, vol. 118, no. 15, 157401, 2017, doi:10.1103/physrevlett.118.157401.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13356
Ma, Xuekai, and Stefan Schumacher. “Vortex-Vortex Control in Exciton-Polariton Condensates.” Physical Review B, vol. 95, no. 23, 235301, 2017, doi:10.1103/physrevb.95.235301.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13358
Vollbrecht, Joachim, et al. “Enhanced Columnar Mesophase Range through Distortions in Arene Cores.” Molecular Crystals and Liquid Crystals, 2017, pp. 66–73, doi:10.1080/15421406.2017.1284387.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13289
Yulin, A., et al. “Bloch Oscillations and Resonant Radiation of Light Propagating in Arrays of Nonlinear Fibers with High-Order Dispersion.” Physical Review A, vol. 96, no. 3, 033827, 2017, doi:10.1103/physreva.96.033827.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13332
Podzimski, Reinold, et al. “Anisotropic Excitons and Their Contributions to Shift Current Transients in Bulk GaAs.” Physical Review B, vol. 96, no. 20, 205201, 2017, doi:10.1103/physrevb.96.205201.
LibreCat
| DOI
2017 | Conference Paper | LibreCat-ID: 13334
Podzimski, Reinold, et al. “A Microscopic Approach to Ultrafast near Band Gap Photocurrents in Bulk Semiconductors.” Ultrafast Phenomena and Nanophotonics XXI, edited by Markus Betz and Abdulhakem Y. Elezzabi, vol. 10102, 101020P, SPIE, 2017, doi:10.1117/12.2250299.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13288
Driben, R., et al. “Bloch Oscillations Sustained by Nonlinearity.” Scientific Reports, vol. 7, no. 1, 3194, 2017, doi:10.1038/s41598-017-03400-w.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 16317
Zimmer, Peter, et al. “The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study.” Inorganic Chemistry, 2017, pp. 360–73, doi:10.1021/acs.inorgchem.7b02624.
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