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347 Publications
2009 | Journal Article | LibreCat-ID: 13661
@article{Landmann_Rauls_Schmidt_2009, title={Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles}, volume={113}, DOI={10.1021/jp810581s}, journal={The Journal of Physical Chemistry C}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={5690–5699} }
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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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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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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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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} }
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2009 | Journal Article | LibreCat-ID: 13844
@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={10.4028/www.scientific.net/msf.615-617.343}, journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }
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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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2008 | Journal Article | LibreCat-ID: 13673
@article{Rakel_Cobet_Esser_Fuchs_Bechstedt_Goldhahn_Schmidt_Schaff_2008, title={GaN and InN conduction-band states studied by ellipsometry}, volume={77}, DOI={10.1103/physrevb.77.115120}, number={11}, journal={Physical Review B}, author={Rakel, Munise and Cobet, Christoph and Esser, Norbert and Fuchs, Frank and Bechstedt, Friedhelm and Goldhahn, Rüdiger and Schmidt, Wolf Gero and Schaff, William}, year={2008} }
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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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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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2008 | Journal Article | LibreCat-ID: 23484
@article{Golde_Meier_Koch_2008, title={High harmonics generated in semiconductor nanostructures by the coupled dynamics of optical inter- and intraband excitations}, volume={77}, DOI={10.1103/physrevb.77.075330}, number={7075330}, journal={Physical Review B}, author={Golde, D. and Meier, T. and Koch, S. W.}, year={2008} }
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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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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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2007 | Journal Article | LibreCat-ID: 13682
@article{Bernholc_Lu_Nakhmanson_Hahn_Meunier_Buongiorno Nardelli_Schmidt_2007, title={Atomic scale design of nanostructures}, DOI={10.1080/00268970701189186}, journal={Molecular Physics}, author={Bernholc, J. and Lu, W. and Nakhmanson, S. M. and Hahn, P.H. and Meunier, V. and Buongiorno Nardelli, M. and Schmidt, Wolf Gero}, year={2007}, pages={147–156} }
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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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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: 13685
@article{Preuss_Bechstedt_Schmidt_Sochos_Schröter_Richter_2006, title={Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS}, volume={74}, DOI={10.1103/physrevb.74.235406}, number={23}, journal={Physical Review B}, author={Preuss, M. and Bechstedt, F. and Schmidt, Wolf Gero and Sochos, J. and Schröter, B. and Richter, W.}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13686
@article{Schmidt_Seino_Preuss_Hermann_Ortmann_Bechstedt_2006, title={Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction}, volume={85}, DOI={10.1007/s00339-006-3691-0}, journal={Applied Physics A}, author={Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Hermann, A. and Ortmann, F. and Bechstedt, F.}, year={2006}, pages={387–397} }
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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: 13689
@article{Preuss_Miotto_Bechstedt_Rada_Richardson_Schmidt_2006, title={Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS}, volume={74}, DOI={10.1103/physrevb.74.115402}, number={11}, journal={Physical Review B}, author={Preuss, M. and Miotto, R. and Bechstedt, F. and Rada, T. and Richardson, N. V. 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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2006 | Journal Article | LibreCat-ID: 13692
@article{Schmidt_Hermann_Fuchs_Bechstedt_2006, title={Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation}, volume={6}, DOI={10.1016/j.cap.2005.11.069}, journal={Current Applied Physics}, author={Schmidt, Wolf Gero and Hermann, A. and Fuchs, F. and Bechstedt, F.}, year={2006}, pages={525–530} }
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2006 | Journal Article | LibreCat-ID: 13693
@article{Schmidt_Seino_2006, title={Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping}, volume={6}, DOI={10.1016/j.cap.2005.11.012}, journal={Current Applied Physics}, author={Schmidt, Wolf Gero and Seino, K.}, year={2006}, pages={331–333} }
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2006 | Journal Article | LibreCat-ID: 13694
@article{Seino_Schmidt_Ohtake_2006, title={Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions}, volume={73}, DOI={10.1103/physrevb.73.035317}, number={3}, journal={Physical Review B}, author={Seino, K. and Schmidt, Wolf Gero and Ohtake, A.}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13695
@article{Hahn_Schmidt_Bechstedt_2006, title={Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}, volume={72}, DOI={10.1103/physrevb.72.245425}, number={24}, journal={Physical Review B}, author={Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2006} }
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2006 | Journal Article | LibreCat-ID: 13845
@article{Ortmann_Bechstedt_Schmidt_2006, title={Semiempirical van der Waals correction to the density functional description of solids and molecular structures}, volume={73}, DOI={10.1103/physrevb.73.205101}, number={20}, journal={Physical Review B}, author={Ortmann, F. and Bechstedt, F. and Schmidt, Wolf Gero}, year={2006} }
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2005 | Journal Article | LibreCat-ID: 13696
@article{Bechstedt_Seino_Hahn_Schmidt_2005, title={Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl}, volume={72}, DOI={10.1103/physrevb.72.245114}, number={24}, journal={Physical Review B}, author={Bechstedt, F. and Seino, K. and Hahn, P. H. and Schmidt, Wolf Gero}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 13697
@article{Ortmann_Schmidt_Bechstedt_2005, title={Attracted by Long-Range Electron Correlation: Adenine on Graphite}, volume={95}, DOI={10.1103/physrevlett.95.186101}, number={18}, journal={Physical Review Letters}, author={Ortmann, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 13698
@article{Schmidt_2005, title={Calculation of reflectance anisotropy for semiconductor surface exploration}, volume={242}, DOI={10.1002/pssb.200541112}, number={13}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero}, year={2005}, pages={2751–2764} }
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2005 | Journal Article | LibreCat-ID: 13699
@article{Hahn_Seino_Schmidt_Furthmüller_Bechstedt_2005, title={Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN}, volume={242}, DOI={10.1002/pssb.200541128}, number={13}, journal={physica status solidi (b)}, author={Hahn, P. H. and Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}, year={2005}, pages={2720–2728} }
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2005 | Journal Article | LibreCat-ID: 13700
@article{Esser_Rakel_Cobet_Schmidt_Braun_Cardona_2005, title={VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations}, volume={242}, DOI={10.1002/pssb.200541315}, number={13}, journal={physica status solidi (b)}, author={Esser, N. and Rakel, M. and Cobet, C. and Schmidt, Wolf Gero and Braun, W. and Cardona, M.}, year={2005}, pages={2601–2609} }
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2005 | Journal Article | LibreCat-ID: 13701
@article{Fuchs_Schmidt_Bechstedt_2005, title={Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations}, volume={109}, DOI={10.1021/jp0501087}, journal={The Journal of Physical Chemistry B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005}, pages={17649–17653} }
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2005 | Journal Article | LibreCat-ID: 13702
@article{Fuchs_Schmidt_Bechstedt_2005, title={Understanding the optical anisotropy of oxidized Si(001) surfaces}, volume={72}, DOI={10.1103/physrevb.72.075353}, number={7}, journal={Physical Review B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 13703
@article{Preuss_Schmidt_Bechstedt_2005, title={Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)}, volume={94}, DOI={10.1103/physrevlett.94.236102}, journal={Physical Review Letters}, author={Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 13704
@article{Seino_Schmidt_2005, title={Conformation-selective adsorption of 2,3-butanediol on Si(001)}, DOI={10.1016/j.susc.2005.04.029}, journal={Surface Science}, author={Seino, K. and Schmidt, Wolf Gero}, year={2005}, pages={191–196} }
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2005 | Journal Article | LibreCat-ID: 13705
@article{Leitsmann_Schmidt_Hahn_Bechstedt_2005, title={Second-harmonic polarizability including electron-hole attraction from band-structure theory}, volume={71}, DOI={10.1103/physrevb.71.195209}, journal={Physical Review B}, author={Leitsmann, R. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F.}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 13706
@article{Hermann_Schmidt_Bechstedt_2005, title={Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study}, volume={71}, DOI={10.1103/physrevb.71.153311}, journal={Physical Review B}, author={Hermann, A. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005} }
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2005 | Journal Article | LibreCat-ID: 13707
@article{Hermann_Schmidt_Bechstedt_2005, title={Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response}, volume={109}, DOI={10.1021/jp0500182}, journal={The Journal of Physical Chemistry B}, author={Hermann, Andreas and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={2005}, pages={7928–7933} }
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2005 | Journal Article | LibreCat-ID: 13709
@article{Hahn_Schmidt_Seino_Preuss_Bechstedt_Bernholc_2005, title={Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding}, volume={94}, DOI={10.1103/physrevlett.94.037404}, journal={Physical Review Letters}, author={Hahn, P. H. and Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Bechstedt, F. and Bernholc, J.}, year={2005}, pages={037404} }
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