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726 Publications
1999 | Book Chapter | LibreCat-ID: 2435
@inbook{Simon_Reinefeld_Heinz_1999, place={Berlin / Heidelberg}, series={Lecture Notes in Computer Science (LNCS)}, title={Large-Scale SCI Clusters in Practice: Architecture and Performance in SCI}, volume={1734}, DOI={10.1007/10704208}, booktitle={SCI: Scalable Coherent Interface. Architecture and Software for High-Performance Compute Clusters}, publisher={Springer}, author={Simon, Jens and Reinefeld, Alexander and Heinz, Oliver}, editor={Hellwagner, Hermann and Reinefeld, AlexanderEditors}, year={1999}, pages={367–381}, collection={Lecture Notes in Computer Science (LNCS)} }
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| DOI
2002 | Journal Article | LibreCat-ID: 13736
@article{Schmidt_Bechstedt_Lu_Bernholc_2002, title={Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)}, volume={66}, DOI={10.1103/physrevb.66.085334}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Bechstedt, F. and Lu, W. and Bernholc, J.}, year={2002}, pages={0855334} }
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2005 | Journal Article | LibreCat-ID: 15849
@article{Schumacher_Czycholl_Jahnke_Kudyk_Rückmann_Gutowski_Gust_Alexe_Hommel_2005, title={Polariton propagation in shallow-confinement heterostructures: Microscopic theory and experiment showing the breakdown of the dead-layer concept}, DOI={10.1103/physrevb.70.235340}, journal={Physical Review B}, author={Schumacher, Stefan and Czycholl, G. and Jahnke, F. and Kudyk, I. and Rückmann, H. I. and Gutowski, J. and Gust, A. and Alexe, G. and Hommel, D.}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 15850
@article{Schumacher_Czycholl_Jahnke_Kudyk_Wischmeier_Rückmann_Voss_Gutowski_Gust_Hommel_2005, title={Coherent propagation of polaritons in semiconductor heterostructures: Nonlinear pulse transmission in theory and experiment}, DOI={10.1103/physrevb.72.081308}, journal={Physical Review B}, author={Schumacher, Stefan and Czycholl, G. and Jahnke, F. and Kudyk, I. and Wischmeier, L. and Rückmann, I. and Voss, T. and Gutowski, J. and Gust, A. and Hommel, D.}, year={2005} }
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2006 | Journal Article | LibreCat-ID: 15848
@article{Schulz_Schumacher_Czycholl_2006, title={Tight-binding model for semiconductor quantum dots with a wurtzite crystal structure: From one-particle properties to Coulomb correlations and optical spectra}, DOI={10.1103/physrevb.73.245327}, journal={Physical Review B}, author={Schulz, S. and Schumacher, Stefan and Czycholl, G.}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13684
@article{Letzig_Willig_Hahn_Schmidt_2006, title={Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface}, volume={74}, DOI={10.1103/physrevb.74.245307}, number={24}, journal={Physical Review B}, author={Letzig, T. and Willig, F. and Hahn, P. H. and Schmidt, Wolf Gero}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13688
@article{Blankenburg_Schmidt_2006, title={Adsorption of phenylglycine on copper: Density functional calculations}, volume={74}, DOI={10.1103/physrevb.74.155419}, number={15}, journal={Physical Review B}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13690
@article{Thierfelder_Hermann_Schwerdtfeger_Schmidt_2006, title={Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations}, volume={74}, DOI={10.1103/physrevb.74.045422}, number={4}, journal={Physical Review B}, author={Thierfelder, C. and Hermann, A. and Schwerdtfeger, P. and Schmidt, Wolf Gero}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13691
@article{Biering_Hermann_Schmidt_2006, title={Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions}, volume={73}, DOI={10.1103/physrevb.73.235429}, number={23}, journal={Physical Review B}, author={Biering, S. and Hermann, A. and Schmidt, Wolf Gero}, year={2006} }
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2007 | Journal Article | LibreCat-ID: 13677
@article{Thierfelder_Schmidt_2007, title={Ethanol adsorbed on ice: A first-principles study}, volume={76}, DOI={10.1103/physrevb.76.195426}, number={19}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2007} }
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2007 | Journal Article | LibreCat-ID: 13678
@article{Blankenburg_Schmidt_2007, title={Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer}, volume={99}, DOI={10.1103/physrevlett.99.196107}, number={19}, journal={Physical Review Letters}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2007} }
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2007 | Journal Article | LibreCat-ID: 13680
@article{Blankenburg_Schmidt_2007, title={Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)}, volume={18}, DOI={10.1088/0957-4484/18/42/424030}, number={424030}, journal={Nanotechnology}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2007} }
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| DOI
2007 | Journal Article | LibreCat-ID: 13681
@article{Wippermann_Schmidt_Calzolari_Nardelli_Stekolnikov_Seino_Bechstedt_2007, title={Quantum conductance of In nanowires on Si(111) from first principles calculations}, DOI={10.1016/j.susc.2007.04.053}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno and Stekolnikov, A.A. and Seino, K. and Bechstedt, F.}, year={2007}, pages={4045–4047} }
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| DOI
2007 | Journal Article | LibreCat-ID: 13683
@article{Stekolnikov_Seino_Bechstedt_Wippermann_Schmidt_Calzolari_Nardelli_2007, title={Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance}, volume={98}, DOI={10.1103/physrevlett.98.026105}, number={2}, journal={Physical Review Letters}, author={Stekolnikov, A. A. and Seino, K. and Bechstedt, F. and Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno}, year={2007} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13663
@article{Wippermann_Schmidt_2008, title={Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array}, volume={603}, DOI={10.1016/j.susc.2008.11.013}, journal={Surface Science}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008}, pages={247–250} }
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2008 | Journal Article | LibreCat-ID: 13666
@article{Wippermann_Schmidt_2008, title={Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles}, volume={78}, DOI={10.1103/physrevb.78.235439}, number={23}, journal={Physical Review B}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2008} }
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2008 | Journal Article | LibreCat-ID: 13667
@article{Blankenburg_Schmidt_2008, title={Spatial modulation of molecular adsorption energies due to indirect interaction}, volume={78}, DOI={10.1103/physrevb.78.233411}, journal={Physical Review B}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2008} }
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2008 | Journal Article | LibreCat-ID: 13668
@article{Rauls_Schmidt_2008, title={Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)}, volume={112}, DOI={10.1021/jp8037297}, journal={Journal of Physical Chemistry C}, author={Rauls, E. and Schmidt, Wolf Gero}, year={2008}, pages={11490–11494} }
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2008 | Journal Article | LibreCat-ID: 13669
@article{Rauls_Dijkstra_Schmidt_2008, title={Atomic structure and energetics of thec-GaN(001) surface}, volume={78}, DOI={10.1103/physrevb.78.113302}, number={11}, journal={Physical Review B}, author={Rauls, E. and Dijkstra, S. J. and Schmidt, Wolf Gero}, year={2008} }
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2008 | Journal Article | LibreCat-ID: 13670
@article{Rauls_Blankenburg_Schmidt_2008, title={DFT calculations of adenine adsorption on coin metal (110) surfaces}, volume={602}, DOI={10.1016/j.susc.2008.04.029}, journal={Surface Science}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2008}, pages={2170–2174} }
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2008 | Journal Article | LibreCat-ID: 13671
@article{Hermann_Schmidt_Schwerdtfeger_2008, title={Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects}, volume={100}, DOI={10.1103/physrevlett.100.207403}, number={20}, journal={Physical Review Letters}, author={Hermann, A. and Schmidt, Wolf Gero and Schwerdtfeger, P.}, year={2008} }
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2008 | Journal Article | LibreCat-ID: 13672
@article{Hermann_Schwerdtfeger_Schmidt_2008, title={Theoretical study of the localization of excess electrons at the surface of ice}, volume={20}, DOI={10.1088/0953-8984/20/22/225003}, number={225003}, journal={Journal of Physics: Condensed Matter}, author={Hermann, A and Schwerdtfeger, P and Schmidt, Wolf Gero}, year={2008} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13674
@article{Wippermann_Koch_Schmidt_2008, title={Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects}, volume={100}, DOI={10.1103/physrevlett.100.106802}, number={10}, journal={Physical Review Letters}, author={Wippermann, S. and Koch, N. and Schmidt, Wolf Gero}, year={2008} }
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| DOI
2008 | Journal Article | LibreCat-ID: 13675
@article{Lange_Schmidt_2008, title={Ammonia adsorption on Cl/Si(001): First-principles calculations}, volume={602}, DOI={10.1016/j.susc.2008.01.024}, journal={Surface Science}, author={Lange, B. and Schmidt, Wolf Gero}, year={2008}, pages={1207–1211} }
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2008 | Journal Article | LibreCat-ID: 13676
@article{Schmidt_Albrecht_Wippermann_Blankenburg_Rauls_Fuchs_Rödl_Furthmüller_Hermann_2008, title={LiNbO3ground- and excited-state properties from first-principles calculations}, volume={77}, DOI={10.1103/physrevb.77.035106}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Albrecht, M. and Wippermann, S. and Blankenburg, S. and Rauls, E. and Fuchs, F. and Rödl, C. and Furthmüller, J. and Hermann, A.}, year={2008} }
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| DOI
2009 | Journal Article | LibreCat-ID: 15847
@article{Kwong_Schumacher_Binder_2009, title={Electron-Spin Beat Susceptibility of Excitons in Semiconductor Quantum Wells}, DOI={10.1103/physrevlett.103.056405}, journal={Physical Review Letters}, author={Kwong, N. H. and Schumacher, Stefan and Binder, R.}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13576
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, DOI={10.1002/pssc.200982459}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13577
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13578
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, DOI={10.1002/pssc.200982456}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13579
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13580
@article{Wippermann_Schmidt_Thissen_Grundmeier_2009, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2009}, pages={137–140} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13583
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={10.1016/j.physb.2009.08.123}, journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber, S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13655
@article{Thissen_Grundmeier_Wippermann_Schmidt_2009, title={Water adsorption on the α-Al2O3(0001) surface}, volume={80}, DOI={10.1103/physrevb.80.245403}, number={24}, journal={Physical Review B}, author={Thissen, P. and Grundmeier, G. and Wippermann, S. and Schmidt, Wolf Gero}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13657
@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect pairs in GaN: LDA+U calculations}, volume={80}, DOI={10.1103/physrevb.80.104120}, number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13659
@article{Blankenburg_Rauls_Schmidt_2009, title={Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures}, volume={113}, DOI={10.1021/jp902337p}, journal={The Journal of Physical Chemistry C}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={12653–12657} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13660
@article{Chandola_Hinrichs_Gensch_Esser_Wippermann_Schmidt_Bechstedt_Fleischer_McGilp_2009, title={Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response}, volume={102}, DOI={10.1103/physrevlett.102.226805}, number={22}, journal={Physical Review Letters}, author={Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and McGilp, J. F.}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13662
@article{Blankenburg_Schmidt_2009, title={Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions}, volume={21}, DOI={10.1088/0953-8984/21/18/185001}, number={185001}, journal={Journal of Physics: Condensed Matter}, author={Blankenburg, S and Schmidt, Wolf Gero}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13664
@article{Lange_Posner_Pohl_Thierfelder_Grundmeier_Blankenburg_Schmidt_2009, title={Water adsorption on hydrogenated Si(111) surfaces}, volume={603}, DOI={10.1016/j.susc.2008.10.030}, journal={Surface Science}, author={Lange, B. and Posner, R. and Pohl, K. and Thierfelder, C. and Grundmeier, Guido and Blankenburg, S. and Schmidt, Wolf Gero}, year={2009}, pages={60–64} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13665
@article{Landmann_Rauls_Schmidt_2009, title={First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen}, volume={79}, DOI={10.1103/physrevb.79.045412}, number={4}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2009} }
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| DOI
2009 | Journal Article | LibreCat-ID: 13802
@article{Giannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et al._2009, title={QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials}, volume={21}, DOI={10.1088/0953-8984/21/39/395502}, number={39395502}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and et al.}, year={2009} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 15846
@article{Schumacher_Galbraith_Ruseckas_Turnbull_Samuel_2010, title={Dynamics of photoexcitation and stimulated optical emission in conjugated polymers: A multiscale quantum-chemistry and Maxwell-Bloch-equations approach}, DOI={10.1103/physrevb.81.245407}, journal={Physical Review B}, author={Schumacher, Stefan and Galbraith, Ian and Ruseckas, Arvydas and Turnbull, Graham A. and Samuel, Ifor D. W.}, year={2010} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13573
@article{Thierfelder_Sanna_Schindlmayr_Schmidt_2010, title={Do we know the band gap of lithium niobate?}, volume={7}, DOI={10.1002/pssc.200982473}, number={2}, journal={Physica Status Solidi C}, publisher={Wiley-VCH}, author={Thierfelder, Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2010}, pages={362–365} }
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| WoS
2010 | Journal Article | LibreCat-ID: 13574
@article{Gerstmann_Rohrmüller_Mauri_Schmidt_2010, title={Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces}, volume={7}, DOI={10.1002/pssc.200982462}, number={2}, journal={physica status solidi (c)}, author={Gerstmann, Uwe and Rohrmüller, M. and Mauri, F. and Schmidt, Wolf Gero}, year={2010}, pages={157–160} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13581
@article{Wippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010, title={Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles}, volume={7}, DOI={10.1002/pssc.200982413}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Fleischer, K. and McGilp, J. F.}, year={2010}, pages={133–136} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13826
@article{Blankenburg_Rauls_Schmidt_2010, title={Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization}, volume={1}, DOI={10.1021/jz101389u}, journal={The Journal of Physical Chemistry Letters}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={3266–3270} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13827
@article{Wippermann_Schmidt_2010, title={Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array}, volume={105}, DOI={10.1103/physrevlett.105.126102}, number={12}, journal={Physical Review Letters}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2010} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13829
@article{Krivosheeva_Sanna_Schmidt_2010, title={First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)}, volume={49}, DOI={10.1016/j.commatsci.2010.06.043}, number={4}, journal={Computational Materials Science}, author={Krivosheeva, A.V. and Sanna, S. and Schmidt, Wolf Gero}, year={2010}, pages={895–898} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13830
@article{Rauls_Wiebe_Schmidt_2010, title={Understanding the cubic AlN growth plane from first principles}, volume={312}, DOI={10.1016/j.jcrysgro.2010.07.027}, journal={Journal of Crystal Growth}, author={Rauls, E. and Wiebe, J. and Schmidt, Wolf Gero}, year={2010}, pages={2892–2895} }
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13832
@article{Thierfelder_Schmidt_2010, title={First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)}, volume={82}, DOI={10.1103/physrevb.82.115402}, number={11}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2010} }
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| DOI
2010 | Journal Article | LibreCat-ID: 13833
@article{Sanna_Schmidt_2010, title={Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory}, volume={81}, DOI={10.1103/physrevb.81.214116}, number={21}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010} }
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| DOI