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826 Publications


2017 | Journal Article | LibreCat-ID: 15944
J. A. Striewe, C. Reuter, K.-H. Sauerland, and T. Tröster, “Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites,” Thin-Walled Structures, pp. 501–508, 2017.
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2017 | Dissertation | LibreCat-ID: 16332
K. Stührenberg, Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen. 2017.
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2017 | Conference Paper | LibreCat-ID: 13156
D. Müller, S. Guericke, and K. Tierney, “Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem,” in Computational Logistics, 2017, pp. 306–320.
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2017 | Conference Paper | LibreCat-ID: 13157
C. Ansotegui, J. Pon, M. Sellmann, and K. Tierney, “Reactive Dialectic Search Portfolios for MaxSAT.,” in AAAI, 2017, pp. 765–772.
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2017 | Journal Article | LibreCat-ID: 13187
A. Oppermann et al., “Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer,” Chemical Engineering \& Technology, vol. 40, no. 8, pp. 1475–1483, 2017.
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2017 | Journal Article | LibreCat-ID: 13200
I. Gruzberg, A. Klümper, W. Nuding, and A. Sedrakyan, “Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions,” Phys. Rev. B, vol. 95, p. 125414, 2017.
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2017 | Journal Article | LibreCat-ID: 13238
A. Lücke, U. Gerstmann, T. D. Kühne, and W. G. Schmidt, “Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition,” Journal of Computational Chemistry, vol. 38, no. 26, pp. 2276–2282, 2017.
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2017 | Journal Article | LibreCat-ID: 13239
Sam Azadi and T. D. Kühne, “High-pressure hydrogen sulfide by diffusion quantum Monte Carlo,” The Journal of Chemical Physics, vol. 146, no. 8, p. 084503, 2017.
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2017 | Journal Article | LibreCat-ID: 13242
R. Ellerbrock and U. Manthe, “H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces,” Chemical Physics, vol. 482, pp. 106–112, 2017.
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2017 | Journal Article | LibreCat-ID: 13276
G. Rutkai et al., “ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0,” Computer Physics Communications, vol. 221, pp. 343–351, 2017.
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2017 | Journal Article | LibreCat-ID: 13277
A. Köster, P. Mausbach, and J. Vrabec, “Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential,” The Journal of Chemical Physics, vol. 147, no. 14, p. 144502, 2017.
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2017 | Journal Article | LibreCat-ID: 13278
R. Fingerhut et al., “Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria,” Industrial & Engineering Chemistry Research, vol. 56, no. 35, pp. 9868–9884, 2017.
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2017 | Journal Article | LibreCat-ID: 13279
M. Schappals et al., “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom,” Journal of Chemical Theory and Computation, vol. 13, no. 9, pp. 4270–4280, 2017.
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2017 | Journal Article | LibreCat-ID: 13280
Y. M. Muñoz-Muñoz, C.-M. Hsieh, and J. Vrabec, “Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms,” The Journal of Physical Chemistry B, vol. 121, no. 21, pp. 5374–5384, 2017.
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2017 | Journal Article | LibreCat-ID: 13281
G. Rutkai, M. Thol, R. Span, and J. Vrabec, “How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?,” Molecular Physics, vol. 115, no. 9–12, pp. 1104–1121, 2017.
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2017 | Journal Article | LibreCat-ID: 13290
N. Bouldi et al., “X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra,” Physical Review B, vol. 96, no. 8, p. 085123, 2017.
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2017 | Journal Article | LibreCat-ID: 10020
M. Landmann, E. Rauls, and W. G. 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.
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2017 | Conference Paper | LibreCat-ID: 13334
R. Podzimski, H. T. Duc, and T. Meier, “A microscopic approach to ultrafast near band gap photocurrents in bulk semiconductors,” in Ultrafast Phenomena and Nanophotonics XXI, 2017, vol. 10102, doi: 10.1117/12.2250299.
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2017 | Journal Article | LibreCat-ID: 13288
R. Driben, V. V. Konotop, T. Meier, and A. V. Yulin, “Bloch oscillations sustained by nonlinearity,” Scientific Reports, vol. 7, no. 1, Art. no. 3194, 2017, doi: 10.1038/s41598-017-03400-w.
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2017 | Journal Article | LibreCat-ID: 16317
P. Zimmer et al., “The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study,” Inorganic Chemistry, pp. 360–373, 2017, doi: 10.1021/acs.inorgchem.7b02624.
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