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