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11148 Publications


2017 | Journal Article | LibreCat-ID: 13415
C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, and W. G. Schmidt, “Si(775)-Au atomic chains: Geometry, optical properties, and spin order,” Physical Review Materials, vol. 1, no. 5, 2017.
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2017 | Journal Article | LibreCat-ID: 13416 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 5, 2017.
LibreCat | Files available | DOI | WoS
 

2017 | Journal Article | LibreCat-ID: 13417
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, pp. 2276–2282, 2017.
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2017 | Journal Article | LibreCat-ID: 13418
S. Sanna and W. G. Schmidt, “LiNbO3 surfaces from a microscopic perspective,” Journal of Physics: Condensed Matter, 2017.
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2017 | Journal Article | LibreCat-ID: 13419
T. Frigge et al., “Optically excited structural transition in atomic wires on surfaces at the quantum limit,” Nature, vol. 544, pp. 207–211, 2017.
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2017 | Journal Article | LibreCat-ID: 13420
D. Nozaki and W. G. Schmidt, “Current density analysis of electron transport through molecular wires in open quantum systems,” Journal of Computational Chemistry, vol. 38, pp. 1685–1692, 2017.
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2017 | Journal Article | LibreCat-ID: 13421
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, vol. 95, no. 15, 2017.
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2017 | Journal Article | LibreCat-ID: 13422
M. Witte, M. Rohrmüller, U. Gerstmann, G. Henkel, W. G. Schmidt, and S. Herres-Pawlis, “[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus,” Journal of Computational Chemistry, pp. 1752–1761, 2017.
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2017 | Journal Article | LibreCat-ID: 13423
S. Tebi et al., “On-Surface Site-Selective Cyclization of Corrole Radicals,” ACS Nano, pp. 3383–3391, 2017.
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2017 | Journal Article | LibreCat-ID: 13424
H. Aldahhak et al., “X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization,” The Journal of Physical Chemistry C, vol. 121, pp. 2192–2200, 2017.
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2017 | Journal Article | LibreCat-ID: 13425
M. Rohrmüller, W. G. Schmidt, and U. Gerstmann, “Electron paramagnetic resonance calculations for hydrogenated Si surfaces,” Physical Review B, vol. 95, no. 12, 2017.
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2017 | Journal Article | LibreCat-ID: 13426
F. Edler et al., “Tuning the conductivity along atomic chains by selective chemisorption,” Physical Review B, vol. 95, no. 12, 2017.
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2017 | Journal Article | LibreCat-ID: 13427
D. Nozaki, A. Lücke, and W. G. Schmidt, “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, pp. 727–732, 2017.
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2017 | Mastersthesis | LibreCat-ID: 100
A. Sergio Djoum Temdjim, Evaluation of Software Reputation Matching Based on App Reviews. Universität Paderborn, 2017.
LibreCat
 

2017 | Journal Article | LibreCat-ID: 10004
X. Ju and R. Mahnken, “‘Model adaptivity on effective elastic properties coupled with adaptive FEM,’” Computer Methods in Applied Mechanics and Engineering, vol. 322, pp. 208–237, 2017.
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2017 | Journal Article | LibreCat-ID: 10006
C. Dammann, P. Lenz, and R. Mahnken, “‘Thermo-chemo-mechanical Effective Properties for Homogeneous and Heterogeneous n -Phase Mixtures with Application to Curing,’” Procedia CIRP, vol. 66, pp. 51–56, 2017.
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2017 | Journal Article | LibreCat-ID: 10007
R. Mahnken, C. Dammann, and P. Lenz, “(n)- AND (n + 1)-LAYERED COMPOSITE SPHERE MODELS FOR THERMO-CHEMO-MECHANICAL EFFECTIVE PROPERTIES,” International Journal for Multiscale Computational Engineering, vol. 15, no. 4, pp. 295–322, 2017.
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2017 | Conference Paper | LibreCat-ID: 10008
E. Penner, I. Caylak, and R. Mahnken, “‘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, Rhode Island, 2017, pp. 554–564.
LibreCat
 

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.
LibreCat | DOI
 

2017 | Journal Article | LibreCat-ID: 10021 | OA
M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory,” Physical Review Materials, vol. 1, no. 3, 2017.
LibreCat | Files available | DOI | WoS
 

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