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343 Publications
2005 | Journal Article | LibreCat-ID: 13703
Preuss, M., et al. “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110).” Physical Review Letters, vol. 94, 2005, doi:10.1103/physrevlett.94.236102.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13704
Seino, K., and Wolf Gero Schmidt. “Conformation-Selective Adsorption of 2,3-Butanediol on Si(001).” Surface Science, 2005, pp. 191–96, doi:10.1016/j.susc.2005.04.029.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13705
Leitsmann, R., et al. “Second-Harmonic Polarizability Including Electron-Hole Attraction from Band-Structure Theory.” Physical Review B, vol. 71, 2005, doi:10.1103/physrevb.71.195209.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13706
Hermann, A., et al. “Optical Response Ofπ-Conjugated Molecular Monolayer Adsorbed on the Semiconductor Si(001) Surface: A First-Principles Study.” Physical Review B, vol. 71, 2005, doi:10.1103/physrevb.71.153311.
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| DOI
2005 | Journal Article | LibreCat-ID: 13707
Hermann, Andreas, et al. “Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response.” The Journal of Physical Chemistry B, vol. 109, 2005, pp. 7928–33, doi:10.1021/jp0500182.
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| DOI
2005 | Journal Article | LibreCat-ID: 13709
Hahn, P. H., et al. “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding.” Physical Review Letters, vol. 94, 2005, p. 037404, doi:10.1103/physrevlett.94.037404.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
Hahn, P. H., et al. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.” Physical Review B, vol. 72, no. 24, 2005, doi:10.1103/physrevb.72.245425.
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| DOI
2004 | Journal Article | LibreCat-ID: 13710
Ohtake, Akihiro, et al. “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase.” Physical Review Letters, vol. 93, 2004, p. 266101, doi:10.1103/physrevlett.93.266101.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13711
Seino, K., and Wolf Gero Schmidt. “H2O on Si(001): Surface Optical Anisotropy from First-Principles Calculations.” Surface Science, vol. 571, no. 157, 2004, pp. 157–60, doi:10.1016/j.susc.2004.08.012.
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| DOI
2004 | Journal Article | LibreCat-ID: 13712
Schmidt, Wolf Gero, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4323–34, doi:10.1088/0953-8984/16/39/007.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13713
Palummo, M., et al. “The Bethe–Salpeter Equation: A First-Principles Approach for Calculating Surface Optical Spectra.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4313–22, doi:10.1088/0953-8984/16/39/006.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13715
Preuss, M., et al. “Methylchloride Adsorbed on Si(001): An Ab Initio Study.” Applied Surface Science, vol. 234, 2004, pp. 155–61, doi:10.1016/j.apsusc.2004.05.041.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13716
Fleischer, K., et al. “Atomic Indium Nanowires on Si(111): The (4 × 1)–(8 × 2) Phase Transition Studied with Reflectance Anisotropy Spectroscopy.” Applied Surface Science, vol. 234, 2004, pp. 302–06, doi:10.1016/j.apsusc.2004.05.114.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13717
Seino, K., et al. “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection.” Physical Review Letters, vol. 93, no. 3, 2004, doi:10.1103/physrevlett.93.036101.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., et al. “Methyl Chloride Adsorption on Si(001)−Electronic Structure.” The Journal of Physical Chemistry B, vol. 108, 2004, pp. 7809–13, doi:10.1021/jp049661z.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13719
Seino, K., et al. “Organic Modification of Surface Electronic Properties: A First-Principles Study of Uracil on Si(001).” Physical Review B, vol. 69, 2004, p. 245309, doi:10.1103/physrevb.69.245309.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13720
Schmidt, Wolf Gero, et al. “Calculation of Surface Optical Properties: From Qualitative Understanding to Quantitative Predictions.” Thin Solid Films, vol. 455–456, 2004, pp. 764–71, doi:10.1016/j.tsf.2003.11.263.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13721
Seino, K., and Wolf Gero Schmidt. “Reflectance Anisotropy of Uracil Covered Si(001) Surfaces: Ab Initio Predictions.” Surface Science, vol. 548, 2004, pp. 183–86, doi:10.1016/j.susc.2003.11.002.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13722
Preuss, M., et al. “Ground- and Excited-State Properties of DNA Base Molecules from Plane-Wave Calculations Using Ultrasoft Pseudopotentials.” Journal of Computational Chemistry, vol. 25, no. 1, 2004, pp. 112–22, doi:10.1002/jcc.10372.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 4272
Zeiser, Andreas, et al. “Dynamics of the Phonon-Induced Electron Transfer between Semiconductor Bulk and Surface States.” Physica Status Solidi (b), vol. 241, no. 12, Wiley, 2004, pp. R60–62, doi:10.1002/pssb.200409060.
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