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822 Publications
2013 | Journal Article | LibreCat-ID: 13517
A. Jesser, M. Rohrmüller, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†,” Journal of Computational Chemistry, vol. 35, no. 1–2, pp. 1–17, 2013, doi: 10.1002/jcc.23449.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
S. Sanna et al., “Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces,” Physical Review B, vol. 88, 2013, doi: 10.1103/physrevb.88.115422.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13522
H. Aldahhak, W. G. Schmidt, and E. Rauls, “Adsorption of PTCDA on NaCl(100) and KCl(100),” Surface Science, vol. 617, pp. 242–248, 2013, doi: 10.1016/j.susc.2013.08.003.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13519
A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” Ferroelectrics, vol. 447, pp. 78–85, 2013, doi: 10.1080/00150193.2013.821904.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
B. M. George et al., “Atomic Structure of Interface States in Silicon Heterojunction Solar Cells,” Physical Review Letters, vol. 110, no. 13, 2013, doi: 10.1103/physrevlett.110.136803.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13527
M. Rohrmüller, S. Herres-Pawlis, M. Witte, and W. G. Schmidt, “Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory,” Journal of Computational Chemistry, vol. 34, pp. 1035–1045, 2013, doi: 10.1002/jcc.23230.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525 | 
A. Riefer, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Optical response of stoichiometric and congruent lithium niobate from first-principles calculations,” Physical Review B, vol. 87, no. 19, Art. no. 195208, 2013, doi: 10.1103/PhysRevB.87.195208.
LibreCat
| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 15867
R. Tautz et al., “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length,” Journal of the American Chemical Society, pp. 4282–4290, 2013, doi: 10.1021/ja309252a.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15866
V. Ardizzone et al., “Formation and control of Turing patterns in a coherent quantum fluid,” Scientific Reports, 2013, doi: 10.1038/srep03016.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
M. H. Luk et al., “Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching,” Physical Review B, 2013, doi: 10.1103/physrevb.87.205307.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15871
H. Liu, S. Schumacher, and T. Meier, “Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields,” Physical Review B, vol. 88, no. 3, Art. no. 035429, 2013, doi: 10.1103/physrevb.88.035429.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
S. Ling, S. Schumacher, I. Galbraith, and M. J. Paterson, “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes,” The Journal of Physical Chemistry C, pp. 6889–6895, 2013, doi: 10.1021/jp401359a.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations,” Ferroelectrics, vol. 447, pp. 78–85, 2013, doi: 10.1080/00150193.2013.821904.
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
A. Riefer et al., “Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations,” in High Performance Computing in Science and Engineering ‘13, W. E. Nagel, D. H. Kröner, and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.
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| Files available
| DOI
| WoS
2012 | Conference Paper | LibreCat-ID: 15985
C. Reuter, M. Frantz, C. Lauter, H. Block, and T. Tröster, “Simulation and testing of hybrid structures consisting of press-hardened steel and CFRP,” presented at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy, 2012.
LibreCat
2012 | Conference Paper | LibreCat-ID: 15987
C. Lauter, M. Frantz, J. P. Kohler, and T. Tröster, “Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements,” presented at the 15th European Conference on Composite Materials (ECCM15), Venice, Italy, 2012.
LibreCat
2012 | Journal Article | LibreCat-ID: 22953
M. Reichelt, A. Walther, and T. Meier, “Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping,” Journal of the Optical Society of America B, vol. 29, no. 2, Art. no. A36, 2012, doi: 10.1364/josab.29.000a36.
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15986
B. Gorny et al., “Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs,” presented at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy, 2012.
LibreCat
2012 | Journal Article | LibreCat-ID: 13546
A. Riefer, E. Rauls, W. G. Schmidt, J. Eberhard, I. Stoll, and J. Mattay, “2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response,” Physical Review B, vol. 85, no. 16, 2012, doi: 10.1103/physrevb.85.165202.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical response of rutile, anatase and brookite TiO2,” Journal of Physics: Condensed Matter, vol. 24, Art. no. 195503, 2012, doi: 10.1088/0953-8984/24/19/195503.
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