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723 Publications
1999 | Book Chapter | LibreCat-ID: 2435
Simon, Jens, et al. “Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI.” SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters, edited by Hermann Hellwagner and Alexander Reinefeld, vol. 1734, Springer, 1999, pp. 367–81, doi:10.1007/10704208.
LibreCat
| DOI
2002 | Journal Article | LibreCat-ID: 13736
Schmidt, Wolf Gero, et al. “Interplay of Surface Reconstruction and Surface Electric Fields in the Optical Anisotropy of GaAs(001).” Physical Review B, vol. 66, 2002, p. 0855334, doi:10.1103/physrevb.66.085334.
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| DOI
2005 | Journal Article | LibreCat-ID: 15849
Schumacher, Stefan, et al. “Polariton Propagation in Shallow-Confinement Heterostructures: Microscopic Theory and Experiment Showing the Breakdown of the Dead-Layer Concept.” Physical Review B, 2005, doi:10.1103/physrevb.70.235340.
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| DOI
2005 | Journal Article | LibreCat-ID: 15850
Schumacher, Stefan, et al. “Coherent Propagation of Polaritons in Semiconductor Heterostructures: Nonlinear Pulse Transmission in Theory and Experiment.” Physical Review B, 2005, doi:10.1103/physrevb.72.081308.
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| DOI
2006 | Journal Article | LibreCat-ID: 15848
Schulz, S., et al. “Tight-Binding Model for Semiconductor Quantum Dots with a Wurtzite Crystal Structure: From One-Particle Properties to Coulomb Correlations and Optical Spectra.” Physical Review B, 2006, doi:10.1103/physrevb.73.245327.
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| DOI
2006 | Journal Article | LibreCat-ID: 13684
Letzig, T., et al. “Experimental and Theoretical Evidence for a Hydrogen Stabilizedc(2×2)Reconstruction of the P-Rich InP(001) Surface.” Physical Review B, vol. 74, no. 24, 2006, doi:10.1103/physrevb.74.245307.
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| DOI
2006 | Journal Article | LibreCat-ID: 13688
Blankenburg, S., and Wolf Gero Schmidt. “Adsorption of Phenylglycine on Copper: Density Functional Calculations.” Physical Review B, vol. 74, no. 15, 2006, doi:10.1103/physrevb.74.155419.
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| DOI
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., et al. “Strongly Bonded Water Monomers on the Ice Ih Basal Plane: Density-Functional Calculations.” Physical Review B, vol. 74, no. 4, 2006, doi:10.1103/physrevb.74.045422.
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| DOI
2006 | Journal Article | LibreCat-ID: 13691
Biering, S., et al. “Adsorption of Water on Chlorine-Terminated Si(111) from First Principles: Substrate-Induced Ordering versus Intermolecular Interactions.” Physical Review B, vol. 73, no. 23, 2006, doi:10.1103/physrevb.73.235429.
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| DOI
2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.” Physical Review B, vol. 76, no. 19, 2007, doi:10.1103/physrevb.76.195426.
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| DOI
2007 | Journal Article | LibreCat-ID: 13678
Blankenburg, S., and Wolf Gero Schmidt. “Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.” Physical Review Letters, vol. 99, no. 19, 2007, doi:10.1103/physrevlett.99.196107.
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| DOI
2007 | Journal Article | LibreCat-ID: 13680
Blankenburg, S., and Wolf Gero Schmidt. “Steric Effects and Chirality in the Adsorption of Glycine and Phenylglycine on Cu(110).” Nanotechnology, vol. 18, 424030, 2007, doi:10.1088/0957-4484/18/42/424030.
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 13681
Wippermann, S., et al. “Quantum Conductance of In Nanowires on Si(111) from First Principles Calculations.” Surface Science, 2007, pp. 4045–47, doi:10.1016/j.susc.2007.04.053.
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| DOI
2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov, A. A., et al. “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance.” Physical Review Letters, vol. 98, no. 2, 2007, doi:10.1103/physrevlett.98.026105.
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| DOI
2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.” Surface Science, vol. 603, 2008, pp. 247–50, doi:10.1016/j.susc.2008.11.013.
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| DOI
2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.” Physical Review B, vol. 78, no. 23, 2008, doi:10.1103/physrevb.78.235439.
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| DOI
2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.” Physical Review B, vol. 78, 2008, doi:10.1103/physrevb.78.233411.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).” Journal of Physical Chemistry C, vol. 112, 2008, pp. 11490–94, doi:10.1021/jp8037297.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., et al. “Atomic Structure and Energetics of Thec-GaN(001) Surface.” Physical Review B, vol. 78, no. 11, 2008, doi:10.1103/physrevb.78.113302.
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| DOI
2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., et al. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.” Surface Science, vol. 602, 2008, pp. 2170–74, doi:10.1016/j.susc.2008.04.029.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., et al. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.” Physical Review Letters, vol. 100, no. 20, 2008, doi:10.1103/physrevlett.100.207403.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., et al. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.” Journal of Physics: Condensed Matter, vol. 20, 225003, 2008, doi:10.1088/0953-8984/20/22/225003.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., et al. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.” Physical Review Letters, vol. 100, no. 10, 2008, doi:10.1103/physrevlett.100.106802.
LibreCat
| DOI
2008 | Journal Article | LibreCat-ID: 13675
Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.” Surface Science, vol. 602, 2008, pp. 1207–11, doi:10.1016/j.susc.2008.01.024.
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| DOI
2008 | Journal Article | LibreCat-ID: 13676
Schmidt, Wolf Gero, et al. “LiNbO3ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B, vol. 77, 2008, doi:10.1103/physrevb.77.035106.
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| DOI
2009 | Journal Article | LibreCat-ID: 15847
Kwong, N. H., et al. “Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells.” Physical Review Letters, 2009, doi:10.1103/physrevlett.103.056405.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), 2009, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13578
Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), 2009, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13579
Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C), vol. 7, no. 2, 2009, pp. 137–40, doi:10.1002/pssc.200982423.
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| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” Physica B: Condensed Matter, vol. 404, 2009, pp. 4742–44, doi:10.1016/j.physb.2009.08.123.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., et al. “Water Adsorption on the α-Al2O3(0001) Surface.” Physical Review B, vol. 80, no. 24, 2009, doi:10.1103/physrevb.80.245403.
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| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” Physical Review B, vol. 80, no. 10, 2009, doi:10.1103/physrevb.80.104120.
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| DOI
2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., et al. “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures.” The Journal of Physical Chemistry C, vol. 113, 2009, pp. 12653–57, doi:10.1021/jp902337p.
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| DOI
2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., et al. “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response.” Physical Review Letters, vol. 102, no. 22, 2009, doi:10.1103/physrevlett.102.226805.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter, vol. 21, 185001, 2009, doi:10.1088/0953-8984/21/18/185001.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13664
Lange, B., et al. “Water Adsorption on Hydrogenated Si(111) Surfaces.” Surface Science, vol. 603, 2009, pp. 60–64, doi:10.1016/j.susc.2008.10.030.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., et al. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.” Physical Review B, vol. 79, no. 4, 2009, doi:10.1103/physrevb.79.045412.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” Journal of Physics: Condensed Matter, vol. 21, no. 39, 395502, 2009, doi:10.1088/0953-8984/21/39/395502.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 15846
Schumacher, Stefan, et al. “Dynamics of Photoexcitation and Stimulated Optical Emission in Conjugated Polymers: A Multiscale Quantum-Chemistry and Maxwell-Bloch-Equations Approach.” Physical Review B, 2010, doi:10.1103/physrevb.81.245407.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:10.1002/pssc.200982473.
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| Files available
| DOI
| WoS
2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 157–60, doi:10.1002/pssc.200982462.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13581
Wippermann, S., et al. “Optical Anisotropy of Si(111)-(4 × 1)/(8 × 2)-In Nanowires Calculated Fromfirst-Principles.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 133–36, doi:10.1002/pssc.200982413.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
Blankenburg, S., et al. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization.” The Journal of Physical Chemistry Letters, vol. 1, 2010, pp. 3266–70, doi:10.1021/jz101389u.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13827
Wippermann, S., and Wolf Gero Schmidt. “Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array.” Physical Review Letters, vol. 105, no. 12, 2010, doi:10.1103/physrevlett.105.126102.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13829
Krivosheeva, A. V., et al. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).” Computational Materials Science, vol. 49, no. 4, 2010, pp. 895–98, doi:10.1016/j.commatsci.2010.06.043.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
Rauls, E., et al. “Understanding the Cubic AlN Growth Plane from First Principles.” Journal of Crystal Growth, vol. 312, 2010, pp. 2892–95, doi:10.1016/j.jcrysgro.2010.07.027.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
Thierfelder, C., and Wolf Gero Schmidt. “First-Principles Study of Water Adsorption and a High-Density Interfacial Ice Structure on(1×1)-O/Rh(111).” Physical Review B, vol. 82, no. 11, 2010, doi:10.1103/physrevb.82.115402.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13833
Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut Surfaces Fromab Initiotheory.” Physical Review B, vol. 81, no. 21, 2010, doi:10.1103/physrevb.81.214116.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13834
Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.” Applied Surface Science, vol. 256, 2010, pp. 5740–43, doi:10.1016/j.apsusc.2010.03.098.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., et al. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” Physical Review B, vol. 81, no. 12, 2010, doi:10.1103/physrevb.81.125401.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13838
Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.” Physica Status Solidi (C), vol. 7, no. 7–8, 2010, pp. 2272–74, doi:10.1002/pssc.200983649.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 415–17, doi:10.1002/pssc.200982460.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 153–56, doi:10.1002/pssc.200982459.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13842
Sanna, Simone, et al. “Ab Initio Investigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 145–48, doi:10.1002/pssc.200982456.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 137–40, doi:10.1002/pssc.200982423.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 4169
Priyadarshi, S., et al. “Reversal of Coherently Controlled Ultrafast Photocurrents by Band Mixing in Undoped GaAs Quantum Wells.” Physical Review Letters, vol. 104, no. 21, 217401, American Physical Society (APS), 2010, doi:10.1103/physrevlett.104.217401.
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| Files available
| DOI
2010 | Journal Article | LibreCat-ID: 4172 | 
Piegdon, Karoline A., et al. “Tuning Quantum-Dot Based Photonic Devices with Liquid Crystals.” Optics Express, vol. 18, no. 8, 7946, The Optical Society, 2010, doi:10.1364/oe.18.007946.
LibreCat
| Files available
| DOI
2011 | Journal Article | LibreCat-ID: 13563
Schmidt, Wolf Gero, et al. “Influence of Na Adsorption on the Quantum Conductance and Metal-Insulator Transition of the In-Si(111)(4×1)–(8×2) Nanowire Array.” Physical Review B, vol. 84, no. 11, 2011, doi:10.1103/physrevb.84.115416.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13564
dos Santos, L. S., et al. “Group-VII Point Defects in ZnSe.” Physical Review B, vol. 84, no. 11, 2011, doi:10.1103/physrevb.84.115201.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13565
Müllegger, Stefan, et al. “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System.” ACS Nano, vol. 5, no. 8, 2011, pp. 6480–86, doi:10.1021/nn201708c.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13568
Mietze, C., et al. “Band Offsets in Cubic GaN/AlN Superlattices.” Physical Review B, vol. 83, no. 19, 2011, doi:10.1103/physrevb.83.195301.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13570
Müllegger, S., et al. “Asymmetric Saddling of Single Porphyrin Molecules on Au(111).” Physical Review B, vol. 83, no. 16, 2011, doi:10.1103/physrevb.83.165416.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13571
Thierfelder, C., et al. “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.” Surface Science, vol. 605, 2011, pp. 746–49, doi:10.1016/j.susc.2011.01.012.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 13823
Sanna, S., et al. “Vibrational Properties of the LiNbO3 Z-Surfaces.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, 2011, pp. 1751–56, doi:10.1109/tuffc.2011.2012.
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| DOI
2011 | Journal Article | LibreCat-ID: 13825
Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B, vol. 83, no. 5, 2011, doi:10.1103/physrevb.83.054112.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 4543
Sanna, S., et al. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics, vol. 419, no. 1, Informa UK Limited, 2011, pp. 1–8, doi:10.1080/00150193.2011.594396.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 15869
Wiebeler, Christian, et al. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” The Journal of Physical Chemistry B, 2012, pp. 4454–60, doi:10.1021/jp3084869.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 15872
Montgomery, Neil A., et al. “Dynamics of Fluorescence Depolarisation in Star-Shaped Oligofluorene-Truxene Molecules.” Physical Chemistry Chemical Physics, 9176, 2012, doi:10.1039/c2cp24141b.
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15985
Reuter, Corin, et al. Simulation and Testing of Hybrid Structures Consisting of Press-Hardened Steel and CFRP. 2012.
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2012 | Conference Paper | LibreCat-ID: 15987
Lauter, Christian, et al. Crash Tests of Hybrid Structures Consisting of Sheet Metal and Local CFRP Reinforcements. 2012.
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2012 | Journal Article | LibreCat-ID: 13531
Schmidt, Christian, et al. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” The Journal of Physical Chemistry C, vol. 116, 2012, pp. 24098–106, doi:10.1021/jp307316r.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13534
Wall, Simone, et al. “Atomistic Picture of Charge Density Wave Formation at Surfaces.” Physical Review Letters, vol. 109, no. 18, 2012, doi:10.1103/physrevlett.109.186101.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13535
Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 59, no. 9, 2012, pp. 1925–28, doi:10.1109/tuffc.2012.2408.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13536
Riefer, Arthur, et al. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, vol. 59, no. 9, 2012, pp. 1929–33, doi:10.1109/tuffc.2012.2409.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13538
Riefer, A., et al. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.” Physical Review B, vol. 86, no. 12, 2012, doi:10.1103/physrevb.86.125410.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13539
Rode, S., et al. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” Physical Review B, vol. 86, no. 7, 2012, doi:10.1103/physrevb.86.075468.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13541
Landmann, M., et al. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” Physical Review B, vol. 86, no. 6, 2012, doi:10.1103/physrevb.86.064201.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13543
Rauls, E., et al. “Interplay between Metal-Free Phthalocyanine Molecules and Au(110) Substrates.” Surface Science, vol. 606, 2012, pp. 1120–25, doi:10.1016/j.susc.2012.03.010.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter, vol. 24, 195503, 2012, doi:10.1088/0953-8984/24/19/195503.
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| DOI
2012 | Journal Article | LibreCat-ID: 13546
Riefer, A., et al. “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: 13548
Thissen, Peter, et al. “PH-Dependent Structure and Energetics of H2O/MgO(100).” Surface Science, vol. 606, 2012, pp. 902–07, doi:10.1016/j.susc.2012.01.018.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13560
Hölscher, R., et al. “Adsorption of OH and H at the LiNbO3(0001) Surface.” Physica Status Solidi (C), vol. 9, no. 6, 2012, pp. 1361–65, doi:10.1002/pssc.201100534.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13820
Schmidt, Wolf Gero, et al. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron Transport, Entropy, and Metal-Insulator Transition.” Physica Status Solidi (B), vol. 249, no. 2, 2012, pp. 343–59, doi:10.1002/pssb.201100457.
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 3974 |
Schumacher, Stefan, et al. “Cavity-Assisted Emission of Polarization-Entangled Photons from Biexcitons in Quantum Dots with Fine-Structure Splitting.” Optics Express, vol. 20, no. 5, OSA, 2012, pp. 5335–42, doi:10.1364/oe.20.005335.
LibreCat
| Files available
| DOI
2012 | Journal Article | LibreCat-ID: 22953
Reichelt, Matthias, et al. “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, A36, 2012, doi:10.1364/josab.29.000a36.
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| DOI
2012 | Conference Paper | LibreCat-ID: 15986
Gorny, B., et al. Simulation and Manufacturing of Deep Drawn Parts Reinforced by Carbon Fibre Prepregs. 2012.
LibreCat
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel et al., Springer, 2013, pp. 93–104, doi:10.1007/978-3-319-02165-2_8.
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| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 15866
Ardizzone, Vincenzo, 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: 15867
Tautz, Raphael, et al. “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.” Journal of the American Chemical Society, 2013, pp. 4282–90, doi:10.1021/ja309252a.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk, M. H., 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: 15870
Ling, Sanliang, et al. “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes.” The Journal of Physical Chemistry C, 2013, pp. 6889–95, doi:10.1021/jp401359a.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
Jesser, Anton, et al. “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, 2013, pp. 1–17, doi:10.1002/jcc.23449.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.” Ferroelectrics, vol. 447, 2013, pp. 78–85, doi:10.1080/00150193.2013.821904.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
Sanna, S., 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
Aldahhak, Hazem, et al. “Adsorption of PTCDA on NaCl(100) and KCl(100).” Surface Science, vol. 617, 2013, pp. 242–48, doi:10.1016/j.susc.2013.08.003.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525 |
Riefer, Arthur, et al. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” Physical Review B, vol. 87, no. 19, 195208, American Physical Society, 2013, doi:10.1103/PhysRevB.87.195208.
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| Files available
| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller, M., et al. “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, 2013, pp. 1035–45, doi:10.1002/jcc.23230.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
George, B. M., 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.
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| DOI