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739 Publications
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. 2013:6889-6895. doi:10.1021/jp401359a
LibreCat
| DOI
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: 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: 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
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| 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
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| DOI
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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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
| 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
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 | 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
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| DOI
2013 | Journal Article | LibreCat-ID: 13520
Sanna S, Riefer A, Neufeld S, et al. Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals. Ferroelectrics. 2013;447(1):63-68. doi:10.1080/00150193.2013.821893
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 15869
Wiebeler C, Tautz R, Feldmann J, von Hauff E, Da Como E, Schumacher S. Spectral Signatures of Polarons in Conjugated Co-polymers. The Journal of Physical Chemistry B. 2012:4454-4460. doi:10.1021/jp3084869
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 15872
Montgomery NA, Hedley GJ, Ruseckas A, et al. Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules. Physical Chemistry Chemical Physics. 2012. doi:10.1039/c2cp24141b
LibreCat
| DOI
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.
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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.
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2012 | Journal Article | LibreCat-ID: 13531
Schmidt C, Breuer T, Wippermann S, Schmidt WG, Witte G. Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. The Journal of Physical Chemistry C. 2012;116:24098-24106. doi:10.1021/jp307316r
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13534
Wall S, Krenzer B, Wippermann S, et al. Atomistic Picture of Charge Density Wave Formation at Surfaces. Physical Review Letters. 2012;109(18). doi:10.1103/physrevlett.109.186101
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| DOI
2012 | Journal Article | LibreCat-ID: 13535
Sanna S, Schmidt WG. Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control. 2012;59(9):1925-1928. doi:10.1109/tuffc.2012.2408
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13536
Riefer A, Sanna S, Gavrilenko AV, Schmidt WG. Linear and nonlinear optical response of LiNbO3 calculated from first principles. IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control. 2012;59(9):1929-1933. doi:10.1109/tuffc.2012.2409
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
Riefer A, Sanna S, Schmidt WG. Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. Physical Review B. 2012;86(12). doi:10.1103/physrevb.86.125410
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