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19443 Publications
2017 | Conference Paper | LibreCat-ID: 13157
Ansotegui C, Pon J, Sellmann M, Tierney K. Reactive Dialectic Search Portfolios for MaxSAT. In: AAAI. ; 2017:765-772.
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2017 | Journal Article | LibreCat-ID: 13161
Dubberke FH, Linnemann M, Abbas WK, et al. Experimental setup of a cascaded two-stage organic Rankine cycle. Applied Thermal Engineering. 2017:958-964. doi:10.1016/j.applthermaleng.2017.11.137
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| DOI
2017 | Journal Article | LibreCat-ID: 13162
Nikolaychuk PA, Linnemann M, Muñoz-Muñoz YM, Baumhögger E, Vrabec J. Experimental and Computational Study on the Solubility of Argon in Propan-2-ol at High Temperatures. Chemistry Letters. 2017:990-991. doi:10.1246/cl.170221
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| DOI
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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| DOI
2017 | Journal Article | LibreCat-ID: 13288
Driben R, Konotop VV, Meier T, Yulin AV. Bloch oscillations sustained by nonlinearity. Scientific Reports. 2017. doi:10.1038/s41598-017-03400-w
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| DOI
2017 | Journal Article | LibreCat-ID: 13289
Yulin A, Driben R, Meier T. Bloch oscillations and resonant radiation of light propagating in arrays of nonlinear fibers with high-order dispersion. Physical Review A. 2017;96(3). doi:10.1103/physreva.96.033827
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| 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
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| DOI
2017 | Conference Paper | LibreCat-ID: 13306
Winkler TJ, Trier M. Enterprise Social Networks: Neue Tools für das Informations und Wissensmanagement. In: Tools Revisited – Rationalität Und Kreativität Durch Management-Tools?. Tyskland: Daimler und Benz Stiftung; 2017:20-27.
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2017 | Conference Paper | LibreCat-ID: 13307
Richter S, Trier M, Richter A. Value Co-creation in the Digital Factory: The Empowered Role of Shop Floor Workers. In: ; 2017.
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2017 | Journal Article | LibreCat-ID: 13332
Podzimski R, Duc HT, Meier T. Anisotropic excitons and their contributions to shift current transients in bulk GaAs. Physical Review B. 2017;96(20). doi:10.1103/physrevb.96.205201
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| 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. ; 2017. doi:10.1117/12.2250299
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| DOI
2017 | Journal Article | LibreCat-ID: 13348
Luk SMH, Lewandowski P, Kwong NH, et al. Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities. Journal of the Optical Society of America B. 2017;35(1). doi:10.1364/josab.35.000146
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| DOI
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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| DOI
2017 | Journal Article | LibreCat-ID: 13354
Luk SMH, Kwong NH, Lewandowski P, Schumacher S, Binder R. Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid. Physical Review Letters. 2017;119(11). doi:10.1103/physrevlett.119.113903
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| DOI
2017 | Journal Article | LibreCat-ID: 13356
Ma X, Schumacher S. Vortex-vortex control in exciton-polariton condensates. Physical Review B. 2017;95(23). doi:10.1103/physrevb.95.235301
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| DOI
2017 | Journal Article | LibreCat-ID: 13358
Vollbrecht J, Wiebeler C, Schumacher S, Bock H, Kitzerow H. Enhanced columnar mesophase range through distortions in arene cores. Molecular Crystals and Liquid Crystals. 2017:66-73. doi:10.1080/15421406.2017.1284387
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| DOI
2017 | Journal Article | LibreCat-ID: 13359
Ma X, Egorov OA, Schumacher S. Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates. Physical Review Letters. 2017;118(15). doi:10.1103/physrevlett.118.157401
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| DOI
2017 | Journal Article | LibreCat-ID: 13360
Wiebeler C, Plasser F, Hedley GJ, Ruseckas A, Samuel IDW, Schumacher S. Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad. The Journal of Physical Chemistry Letters. 2017:1086-1092. doi:10.1021/acs.jpclett.7b00089
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| DOI
2017 | Journal Article | LibreCat-ID: 13361
Lafont O, Luk SMH, Lewandowski P, et al. Controlling the optical spin Hall effect with light. Applied Physics Letters. 2017. doi:10.1063/1.4975681
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| DOI
2017 | Journal Article | LibreCat-ID: 13364
Kwong NH, Tsang CY, Luk SMH, et al. Optical switching of polariton density patterns in a semiconductor microcavity. Physica Scripta. 2017. doi:10.1088/1402-4896/aa58f6
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| DOI
2017 | Journal Article | LibreCat-ID: 13412
Konieczna DD, Biller H, Witte M, Schmidt WG, Neuba A, Wilhelm R. New pyridinium based ionic dyes for the hydrogen evolution reaction. Tetrahedron. 2017:142-149. doi:10.1016/j.tet.2017.11.053
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| DOI
2017 | Journal Article | LibreCat-ID: 13414
Riefer A, Schmidt WG. Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides. Physical Review B. 2017;96(23). doi:10.1103/physrevb.96.235206
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| DOI
2017 | Journal Article | LibreCat-ID: 13415
Braun C, Hogan C, Chandola S, Esser N, Sanna S, Schmidt WG. Si(775)-Au atomic chains: Geometry, optical properties, and spin order. Physical Review Materials. 2017;1(5). doi:10.1103/physrevmaterials.1.055002
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| DOI
2017 | Journal Article | LibreCat-ID: 13416 | 
Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory. Physical Review Materials. 2017;1(5). doi:10.1103/PhysRevMaterials.1.054406
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2017 | Journal Article | LibreCat-ID: 13417
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. 2017:2276-2282. doi:10.1002/jcc.24878
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| DOI
2017 | Journal Article | LibreCat-ID: 13418
Sanna S, Schmidt WG. LiNbO3 surfaces from a microscopic perspective. Journal of Physics: Condensed Matter. 2017. doi:10.1088/1361-648x/aa818d
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| DOI
2017 | Journal Article | LibreCat-ID: 13419
Frigge T, Hafke B, Witte T, et al. Optically excited structural transition in atomic wires on surfaces at the quantum limit. Nature. 2017;544:207-211. doi:10.1038/nature21432
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| DOI
2017 | Journal Article | LibreCat-ID: 13420
Nozaki D, Schmidt WG. Current density analysis of electron transport through molecular wires in open quantum systems. Journal of Computational Chemistry. 2017;38:1685-1692. doi:10.1002/jcc.24812
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| DOI
2017 | Journal Article | LibreCat-ID: 13421
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;95(15). doi:10.1103/physrevb.95.155310
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| DOI
2017 | Journal Article | LibreCat-ID: 13422
Witte M, Rohrmüller M, Gerstmann U, Henkel G, Schmidt WG, Herres-Pawlis S. [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. Journal of Computational Chemistry. 2017:1752-1761. doi:10.1002/jcc.24798
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13423
Tebi S, Paszkiewicz M, Aldahhak H, et al. On-Surface Site-Selective Cyclization of Corrole Radicals. ACS Nano. 2017:3383-3391. doi:10.1021/acsnano.7b00766
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13424
Aldahhak H, Paszkiewicz M, Allegretti F, et al. X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization. The Journal of Physical Chemistry C. 2017;121:2192-2200. doi:10.1021/acs.jpcc.6b09935
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13425
Rohrmüller M, Schmidt WG, Gerstmann U. Electron paramagnetic resonance calculations for hydrogenated Si surfaces. Physical Review B. 2017;95(12). doi:10.1103/physrevb.95.125310
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| DOI
2017 | Journal Article | LibreCat-ID: 13426
Edler F, Miccoli I, Stöckmann JP, et al. Tuning the conductivity along atomic chains by selective chemisorption. Physical Review B. 2017;95(12). doi:10.1103/physrevb.95.125409
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13427
Nozaki D, Lücke A, Schmidt WG. 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. 2017:727-732. doi:10.1021/acs.jpclett.6b02989
LibreCat
| DOI
2017 | Mastersthesis | LibreCat-ID: 100
Sergio Djoum Temdjim A. Evaluation of Software Reputation Matching Based on App Reviews. Universität Paderborn; 2017.
LibreCat
2017 | Journal Article | LibreCat-ID: 10004
Ju X, Mahnken R. “Model adaptivity on effective elastic properties coupled with adaptive FEM.” Computer Methods in Applied Mechanics and Engineering. 2017;322:208-237. doi:10.1016/j.cma.2017.04.013
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10006
Dammann C, Lenz P, Mahnken R. “Thermo-chemo-mechanical Effective Properties for Homogeneous and Heterogeneous n -Phase Mixtures with Application to Curing.” Procedia CIRP. 2017;66:51-56. doi:10.1016/j.procir.2017.03.360
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 10007
Mahnken R, Dammann C, Lenz P. (n)- AND (n + 1)-LAYERED COMPOSITE SPHERE MODELS FOR THERMO-CHEMO-MECHANICAL EFFECTIVE PROPERTIES. International Journal for Multiscale Computational Engineering. 2017;15(4):295-322. doi:10.1615/intjmultcompeng.2017020304
LibreCat
| DOI
2017 | Conference Paper | LibreCat-ID: 10008
Penner E, Caylak I, Mahnken R. “Fuzzy and stochastic analysis of rubber like materials.” In: Proceedings of the 2nd International Conference on Uncertainty Quantification in Computational Sciences and Engineering, Rhode Island, 15.-17.06.2017. ; 2017:554-564.
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