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822 Publications
2013 | Journal Article | LibreCat-ID: 13517
Jesser A, Rohrmüller M, Schmidt WG, Herres-Pawlis S. Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. Journal of Computational Chemistry. 2013;35(1-2):1-17. doi:10.1002/jcc.23449
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
Sanna S, Rode S, Hölscher R, et al. Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. Physical Review B. 2013;88. doi:10.1103/physrevb.88.115422
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13522
Aldahhak H, Schmidt WG, Rauls E. Adsorption of PTCDA on NaCl(100) and KCl(100). Surface Science. 2013;617:242-248. doi:10.1016/j.susc.2013.08.003
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics. 2013;447:78-85. doi:10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
George BM, Behrends J, Schnegg A, et al. Atomic Structure of Interface States in Silicon Heterojunction Solar Cells. Physical Review Letters. 2013;110(13). doi:10.1103/physrevlett.110.136803
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| DOI
2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller M, Herres-Pawlis S, Witte M, Schmidt WG. 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. 2013;34:1035-1045. doi:10.1002/jcc.23230
LibreCat
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2013 | Journal Article | LibreCat-ID: 13525 | 
Riefer A, Sanna S, Schindlmayr A, Schmidt WG. Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. Physical Review B. 2013;87(19). doi:10.1103/PhysRevB.87.195208
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| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 15867
Tautz R, Da Como E, Wiebeler C, et al. Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. Journal of the American Chemical Society. Published online 2013:4282-4290. doi:10.1021/ja309252a
LibreCat
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2013 | Journal Article | LibreCat-ID: 15866
Ardizzone V, Lewandowski P, Luk MH, et al. Formation and control of Turing patterns in a coherent quantum fluid. Scientific Reports. Published online 2013. doi:10.1038/srep03016
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk MH, Tse YC, Kwong NH, et al. Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. Physical Review B. Published online 2013. doi:10.1103/physrevb.87.205307
LibreCat
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2013 | Journal Article | LibreCat-ID: 15871
Liu H, Schumacher S, Meier T. Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields. Physical Review B. 2013;88(3). doi:10.1103/physrevb.88.035429
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
Ling S, Schumacher S, Galbraith I, Paterson MJ. Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. The Journal of Physical Chemistry C. Published online 2013:6889-6895. doi:10.1021/jp401359a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics. 2013;447:78-85. doi:10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer A, Rohrmüller M, Landmann M, et al. Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ‘13. Transactions of the High Performance Computing Center, Stuttgart. Springer; 2013:93-104. doi:10.1007/978-3-319-02165-2_8
LibreCat
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| DOI
| WoS
2012 | Conference Paper | LibreCat-ID: 15985
Reuter C, Frantz M, Lauter C, Block H, Tröster T. Simulation and testing of hybrid structures consisting of press-hardened steel and CFRP. In: ; 2012.
LibreCat
2012 | Conference Paper | LibreCat-ID: 15987
Lauter C, Frantz M, Kohler JP, Tröster T. Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements. In: ; 2012.
LibreCat
2012 | Journal Article | LibreCat-ID: 22953
Reichelt M, Walther A, Meier T. Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping. Journal of the Optical Society of America B. 2012;29(2). doi:10.1364/josab.29.000a36
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15986
Gorny B, Hankeln F, Lauter C, et al. Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs. In: ; 2012.
LibreCat
2012 | Journal Article | LibreCat-ID: 13546
Riefer A, Rauls E, Schmidt WG, Eberhard J, Stoll I, Mattay J. 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response. Physical Review B. 2012;85(16). doi:10.1103/physrevb.85.165202
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann M, Rauls E, Schmidt WG. The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter. 2012;24. doi:10.1088/0953-8984/24/19/195503
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