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822 Publications
2017 | Journal Article | LibreCat-ID: 13187
Oppermann, A., Laurini, L., Etscheidt, F., Hollmann, K., Strassl, F., Hoffmann, A., … Herres-Pawlis, S. (2017). Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer. Chemical Engineering \& Technology, 40(8), 1475–1483. https://doi.org/10.1002/ceat.201600691
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13200
Gruzberg, I., Klümper, A., Nuding, W., & Sedrakyan, A. (2017). Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions. Phys. Rev. B, 95, 125414. https://doi.org/10.1103/PhysRevB.95.125414
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13238
Lücke, A., Gerstmann, U., Kühne, T. D., & Schmidt, W. G. (2017). Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition. Journal of Computational Chemistry, 38(26), 2276–2282. https://doi.org/10.1002/jcc.24878
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13239
Azadi, Sam , & Kühne, T. D. (2017). High-pressure hydrogen sulfide by diffusion quantum Monte Carlo. The Journal of Chemical Physics, 146(8), 084503. https://doi.org/10.1063/1.4976836
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| DOI
2017 | Journal Article | LibreCat-ID: 13242
Ellerbrock, R., & Manthe, U. (2017). H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces. Chemical Physics, 482, 106–112. https://doi.org/10.1016/j.chemphys.2016.08.032
LibreCat
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2017 | Journal Article | LibreCat-ID: 13276
Rutkai, G., Köster, A., Guevara-Carrion, G., Janzen, T., Schappals, M., Glass, C. W., … Vrabec, J. (2017). ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0. Computer Physics Communications, 221, 343–351. https://doi.org/10.1016/j.cpc.2017.07.025
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2017 | Journal Article | LibreCat-ID: 13277
Köster, A., Mausbach, P., & Vrabec, J. (2017). Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential. The Journal of Chemical Physics, 147(14), 144502. https://doi.org/10.1063/1.4990667
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13278
Fingerhut, R., Chen, W.-L., Schedemann, A., Cordes, W., Rarey, J., Hsieh, C.-M., … Lin, S.-T. (2017). Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria. Industrial & Engineering Chemistry Research, 56(35), 9868–9884. https://doi.org/10.1021/acs.iecr.7b01360
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| DOI
2017 | Journal Article | LibreCat-ID: 13279
Schappals, M., Mecklenfeld, A., Kröger, L., Botan, V., Köster, A., Stephan, S., … Hasse, H. (2017). Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. Journal of Chemical Theory and Computation, 13(9), 4270–4280. https://doi.org/10.1021/acs.jctc.7b00489
LibreCat
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2017 | Journal Article | LibreCat-ID: 13280
Muñoz-Muñoz, Y. M., Hsieh, C.-M., & Vrabec, J. (2017). Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms. The Journal of Physical Chemistry B, 121(21), 5374–5384. https://doi.org/10.1021/acs.jpcb.7b02494
LibreCat
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2017 | Journal Article | LibreCat-ID: 13281
Rutkai, G., Thol, M., Span, R., & Vrabec, J. (2017). How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases? Molecular Physics, 115(9–12), 1104–1121. https://doi.org/10.1080/00268976.2016.1246760
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13290
Bouldi, N., Vollmers, N. J., Delpy-Laplanche, C. G., Joly, Y., Juhin, A., Sainctavit, P., … Gerstmann, U. (2017). X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra. Physical Review B, 96(8), 085123. https://doi.org/10.1103/physrevb.96.085123
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
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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
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 18
Riebler, H., Lass, M., Mittendorf, R., Löcke, T., & Plessl, C. (2017). Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs. ACM Transactions on Reconfigurable Technology and Systems (TRETS), 10(3), 24:1-24:23. https://doi.org/10.1145/3053687
LibreCat
| Files available
| DOI
2017 | Conference Paper | LibreCat-ID: 1592
Kenter, T., Förstner, J., & Plessl, C. (2017). Flexible FPGA design for FDTD using OpenCL. Proc. Int. Conf. on Field Programmable Logic and Applications (FPL). https://doi.org/10.23919/FPL.2017.8056844
LibreCat
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| DOI
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, Article 3981317. https://doi.org/10.1155/2017/3981317
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| DOI
| WoS
2017 | Journal Article | LibreCat-ID: 13353
Lewandowski, P., Luk, S. M. H., Chan, C. K. P., Leung, P. T., Kwong, N. H., Binder, R., & Schumacher, S. (2017). Directional optical switching and transistor functionality using optical parametric oscillation in a spinor polariton fluid. Optics Express, 25(25), Article 31056. https://doi.org/10.1364/oe.25.031056
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