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822 Publications
2017 | Journal Article | LibreCat-ID: 13187
Oppermann, Alexander, Larissa Laurini, Fabian Etscheidt, Katharina Hollmann, Florian Strassl, Alexander Hoffmann, Daniela Schurr, Roland Dittmeyer, Günter Rinke, and Sonja Herres-Pawlis. “Detection of Copper Bisguanidine NO Adducts by UV-Vis Spectroscopy and a SuperFocus Mixer.” Chemical Engineering \& Technology 40, no. 8 (2017): 1475–83. https://doi.org/10.1002/ceat.201600691.
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2017 | Journal Article | LibreCat-ID: 13200
Gruzberg, Ilya, Andreas Klümper, Win Nuding, and Ara Sedrakyan. “Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions.” Phys. Rev. B 95 (2017): 125414. https://doi.org/10.1103/PhysRevB.95.125414.
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2017 | Journal Article | LibreCat-ID: 13238
Lücke, Andreas, Uwe Gerstmann, Thomas D. Kühne, and Wolf G. Schmidt. “Efficient PAW-Based Bond Strength Analysis for Understanding the In/Si(111)(8 × 2) – (4 × 1) Phase Transition.” Journal of Computational Chemistry 38, no. 26 (2017): 2276–82. https://doi.org/10.1002/jcc.24878.
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2017 | Journal Article | LibreCat-ID: 13239
Azadi, Sam , and Thomas D. Kühne. “High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo.” The Journal of Chemical Physics 146, no. 8 (2017): 084503. https://doi.org/10.1063/1.4976836.
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2017 | Journal Article | LibreCat-ID: 13242
Ellerbrock, Roman, and Uwe Manthe. “H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces.” Chemical Physics 482 (2017): 106–12. https://doi.org/10.1016/j.chemphys.2016.08.032.
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2017 | Journal Article | LibreCat-ID: 13276
Rutkai, Gábor, Andreas Köster, Gabriela Guevara-Carrion, Tatjana Janzen, Michael Schappals, Colin W. Glass, Martin Bernreuther, et al. “Ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0.” Computer Physics Communications 221 (2017): 343–51. https://doi.org/10.1016/j.cpc.2017.07.025.
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2017 | Journal Article | LibreCat-ID: 13277
Köster, Andreas, Peter Mausbach, and Jadran Vrabec. “Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential.” The Journal of Chemical Physics 147, no. 14 (2017): 144502. https://doi.org/10.1063/1.4990667.
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2017 | Journal Article | LibreCat-ID: 13278
Fingerhut, Robin, Wei-Lin Chen, Andre Schedemann, Wilfried Cordes, Jürgen Rarey, Chieh-Ming Hsieh, Jadran Vrabec, and Shiang-Tai Lin. “Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria.” Industrial & Engineering Chemistry Research 56, no. 35 (2017): 9868–84. https://doi.org/10.1021/acs.iecr.7b01360.
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2017 | Journal Article | LibreCat-ID: 13279
Schappals, Michael, Andreas Mecklenfeld, Leif Kröger, Vitalie Botan, Andreas Köster, Simon Stephan, Edder J. García, et al. “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.” Journal of Chemical Theory and Computation 13, no. 9 (2017): 4270–80. https://doi.org/10.1021/acs.jctc.7b00489.
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2017 | Journal Article | LibreCat-ID: 13280
Muñoz-Muñoz, Y. Mauricio, Chieh-Ming Hsieh, and Jadran Vrabec. “Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms.” The Journal of Physical Chemistry B 121, no. 21 (2017): 5374–84. https://doi.org/10.1021/acs.jpcb.7b02494.
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2017 | Journal Article | LibreCat-ID: 13281
Rutkai, Gábor, Monika Thol, Roland Span, and Jadran Vrabec. “How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?” Molecular Physics 115, no. 9–12 (2017): 1104–21. https://doi.org/10.1080/00268976.2016.1246760.
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2017 | Journal Article | LibreCat-ID: 13290
Bouldi, N., N. J. Vollmers, C. G. Delpy-Laplanche, Y. Joly, A. Juhin, Ph. Sainctavit, Ch. Brouder, et al. “X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra.” Physical Review B 96, no. 8 (2017): 085123. https://doi.org/10.1103/physrevb.96.085123.
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2017 | Journal Article | LibreCat-ID: 10020
Landmann, M., E. Rauls, and Wolf Gero Schmidt. “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. https://doi.org/10.1103/physrevb.95.155310.
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2017 | Conference Paper | LibreCat-ID: 13334
Podzimski, Reinold, Huynh Thanh Duc, and Torsten Meier. “A Microscopic Approach to Ultrafast near Band Gap Photocurrents in Bulk Semiconductors.” In Ultrafast Phenomena and Nanophotonics XXI, edited by Markus Betz and Abdulhakem Y. Elezzabi, Vol. 10102. SPIE Proceedings. SPIE, 2017. https://doi.org/10.1117/12.2250299.
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2017 | Journal Article | LibreCat-ID: 13288
Driben, R., V. V. Konotop, Torsten Meier, and A. V. Yulin. “Bloch Oscillations Sustained by Nonlinearity.” Scientific Reports 7, no. 1 (2017). https://doi.org/10.1038/s41598-017-03400-w.
LibreCat
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2017 | Journal Article | LibreCat-ID: 16317
Zimmer, Peter, Lukas Burkhardt, Aleksej Friedrich, Jakob Steube, Adam Neuba, Rahel Schepper, Patrick Müller, et al. “The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study.” Inorganic Chemistry, 2017, 360–73. https://doi.org/10.1021/acs.inorgchem.7b02624.
LibreCat
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2017 | Journal Article | LibreCat-ID: 18
Riebler, Heinrich, Michael Lass, Robert Mittendorf, Thomas Löcke, and Christian Plessl. “Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs.” ACM Transactions on Reconfigurable Technology and Systems (TRETS) 10, no. 3 (2017): 24:1-24:23. https://doi.org/10.1145/3053687.
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| DOI
2017 | Conference Paper | LibreCat-ID: 1592
Kenter, Tobias, Jens Förstner, and Christian Plessl. “Flexible FPGA Design for FDTD Using OpenCL.” In Proc. Int. Conf. on Field Programmable Logic and Applications (FPL). IEEE, 2017. https://doi.org/10.23919/FPL.2017.8056844.
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2017 | Journal Article | LibreCat-ID: 10023 | 
Schmidt, Falko, Marc Landmann, Eva Rauls, Nicola Argiolas, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory.” Advances in Materials Science and Engineering 2017 (2017). https://doi.org/10.1155/2017/3981317.
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2017 | Journal Article | LibreCat-ID: 13353
Lewandowski, Przemyslaw, Samuel M. H. Luk, Chris K. P. Chan, P. T. Leung, N. H. Kwong, Rolf Binder, and Stefan Schumacher. “Directional Optical Switching and Transistor Functionality Using Optical Parametric Oscillation in a Spinor Polariton Fluid.” Optics Express 25, no. 25 (2017). https://doi.org/10.1364/oe.25.031056.
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