Landmann, M., et al. “Chainlike AuO Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles.”10.1021/jp810581s__The Journal of Physical Chemistry C, vol. 113, 2009, pp. 5690–99, doi:10.1021/jp810581s.
LibreCat: /record/13661
DOI: 10.1021/jp810581s

Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.”10.1088/0953-8984/21/18/185001__Journal of Physics: Condensed Matter, vol. 21, 185001, 2009, doi:10.1088/0953-8984/21/18/185001.
LibreCat: /record/13662
DOI: 10.1088/0953-8984/21/18/185001

Lange, B., et al. “Water Adsorption on Hydrogenated Si(111) Surfaces.”10.1016/j.susc.2008.10.030__Surface Science, vol. 603, 2009, pp. 60–64, doi:10.1016/j.susc.2008.10.030.
LibreCat: /record/13664
DOI: 10.1016/j.susc.2008.10.030

Landmann, M., et al. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.”10.1103/physrevb.79.045412__Physical Review B, vol. 79, no. 4, 2009, doi:10.1103/physrevb.79.045412.
LibreCat: /record/13665
DOI: 10.1103/physrevb.79.045412

Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.”10.1088/0953-8984/21/39/395502__Journal of Physics: Condensed Matter, vol. 21, no. 39, 395502, 2009, doi:10.1088/0953-8984/21/39/395502.
LibreCat: /record/13802
DOI: 10.1088/0953-8984/21/39/395502

Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.”10.4028/www.scientific.net/msf.615-617.343__Materials Science Forum, vol. 615–617, 2009, pp. 343–46, doi:10.4028/www.scientific.net/msf.615-617.343.
LibreCat: /record/13844
DOI: 10.4028/www.scientific.net/msf.615-617.343

Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.”10.1016/j.susc.2008.11.013__Surface Science, vol. 603, 2008, pp. 247–50, doi:10.1016/j.susc.2008.11.013.
LibreCat: /record/13663
DOI: 10.1016/j.susc.2008.11.013

Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.”10.1103/physrevb.78.235439__Physical Review B, vol. 78, no. 23, 2008, doi:10.1103/physrevb.78.235439.
LibreCat: /record/13666
DOI: 10.1103/physrevb.78.235439

Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.”10.1103/physrevb.78.233411__Physical Review B, vol. 78, 2008, doi:10.1103/physrevb.78.233411.
LibreCat: /record/13667
DOI: 10.1103/physrevb.78.233411

Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).”10.1021/jp8037297__Journal of Physical Chemistry C, vol. 112, 2008, pp. 11490–94, doi:10.1021/jp8037297.
LibreCat: /record/13668
DOI: 10.1021/jp8037297

Rauls, E., et al. “Atomic Structure and Energetics of Thec-GaN(001) Surface.”10.1103/physrevb.78.113302__Physical Review B, vol. 78, no. 11, 2008, doi:10.1103/physrevb.78.113302.
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

Rauls, E., et al. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.”10.1016/j.susc.2008.04.029__Surface Science, vol. 602, 2008, pp. 2170–74, doi:10.1016/j.susc.2008.04.029.
LibreCat: /record/13670
DOI: 10.1016/j.susc.2008.04.029

Hermann, A., et al. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.”10.1103/physrevlett.100.207403__Physical Review Letters, vol. 100, no. 20, 2008, doi:10.1103/physrevlett.100.207403.
LibreCat: /record/13671
DOI: 10.1103/physrevlett.100.207403

Hermann, A., et al. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.”10.1088/0953-8984/20/22/225003__Journal of Physics: Condensed Matter, vol. 20, 225003, 2008, doi:10.1088/0953-8984/20/22/225003.
LibreCat: /record/13672
DOI: 10.1088/0953-8984/20/22/225003

Rakel, Munise, et al. “GaN and InN Conduction-Band States Studied by Ellipsometry.”10.1103/physrevb.77.115120__Physical Review B, vol. 77, no. 11, 2008, doi:10.1103/physrevb.77.115120.
LibreCat: /record/13673
DOI: 10.1103/physrevb.77.115120

Wippermann, S., et al. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.”10.1103/physrevlett.100.106802__Physical Review Letters, vol. 100, no. 10, 2008, doi:10.1103/physrevlett.100.106802.
LibreCat: /record/13674
DOI: 10.1103/physrevlett.100.106802

Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.”10.1016/j.susc.2008.01.024__Surface Science, vol. 602, 2008, pp. 1207–11, doi:10.1016/j.susc.2008.01.024.
LibreCat: /record/13675
DOI: 10.1016/j.susc.2008.01.024

Schmidt, Wolf Gero, et al. “LiNbO3ground- and Excited-State Properties from First-Principles Calculations.”10.1103/physrevb.77.035106__Physical Review B, vol. 77, 2008, doi:10.1103/physrevb.77.035106.
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

Golde, D., et al. “High Harmonics Generated in Semiconductor Nanostructures by the Coupled Dynamics of Optical Inter- and Intraband Excitations.”10.1103/physrevb.77.075330__Physical Review B, vol. 77, no. 7, 075330, 2008, doi:10.1103/physrevb.77.075330.
LibreCat: /record/23484
DOI: 10.1103/physrevb.77.075330

Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.”10.1103/physrevb.76.195426__Physical Review B, vol. 76, no. 19, 2007, doi:10.1103/physrevb.76.195426.
LibreCat: /record/13677
DOI: 10.1103/physrevb.76.195426

Blankenburg, S., and Wolf Gero Schmidt. “Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.”10.1103/physrevlett.99.196107__Physical Review Letters, vol. 99, no. 19, 2007, doi:10.1103/physrevlett.99.196107.
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

Blankenburg, S., and Wolf Gero Schmidt. “Steric Effects and Chirality in the Adsorption of Glycine and Phenylglycine on Cu(110).”10.1088/0957-4484/18/42/424030__Nanotechnology, vol. 18, 424030, 2007, doi:10.1088/0957-4484/18/42/424030.
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

Wippermann, S., et al. “Quantum Conductance of In Nanowires on Si(111) from First Principles Calculations.”10.1016/j.susc.2007.04.053__Surface Science, 2007, pp. 4045–47, doi:10.1016/j.susc.2007.04.053.
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

Bernholc, J., et al. “Atomic Scale Design of Nanostructures.”10.1080/00268970701189186__Molecular Physics, 2007, pp. 147–56, doi:10.1080/00268970701189186.
LibreCat: /record/13682
DOI: 10.1080/00268970701189186

Stekolnikov, A. A., et al. “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance.”10.1103/physrevlett.98.026105__Physical Review Letters, vol. 98, no. 2, 2007, doi:10.1103/physrevlett.98.026105.
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

Letzig, T., et al. “Experimental and Theoretical Evidence for a Hydrogen Stabilizedc(2×2)Reconstruction of the P-Rich InP(001) Surface.”10.1103/physrevb.74.245307__Physical Review B, vol. 74, no. 24, 2006, doi:10.1103/physrevb.74.245307.
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307

Preuss, M., et al. “Clean and Pyrrole-Functionalized Si- and C-Terminated SiC Surfaces: First-Principles Calculations of Geometry and Energetics Compared with LEED and XPS.”10.1103/physrevb.74.235406__Physical Review B, vol. 74, no. 23, 2006, doi:10.1103/physrevb.74.235406.
LibreCat: /record/13685
DOI: 10.1103/physrevb.74.235406

Schmidt, Wolf Gero, et al. “Organic Molecule Adsorption on Solid Surfaces: Chemical Bonding, Mutual Polarisation and Dispersion Interaction.”10.1007/s00339-006-3691-0__Applied Physics A, vol. 85, 2006, pp. 387–97, doi:10.1007/s00339-006-3691-0.
LibreCat: /record/13686
DOI: 10.1007/s00339-006-3691-0

Blankenburg, S., and Wolf Gero Schmidt. “Adsorption of Phenylglycine on Copper: Density Functional Calculations.”10.1103/physrevb.74.155419__Physical Review B, vol. 74, no. 15, 2006, doi:10.1103/physrevb.74.155419.
LibreCat: /record/13688
DOI: 10.1103/physrevb.74.155419

Preuss, M., et al. “Structure, Energetics, and Vibrational Spectra of Perylene Adsorbed on Si(001): First-Principles Calculations Compared with STM and HREELS.”10.1103/physrevb.74.115402__Physical Review B, vol. 74, no. 11, 2006, doi:10.1103/physrevb.74.115402.
LibreCat: /record/13689
DOI: 10.1103/physrevb.74.115402

Thierfelder, C., et al. “Strongly Bonded Water Monomers on the Ice Ih Basal Plane: Density-Functional Calculations.”10.1103/physrevb.74.045422__Physical Review B, vol. 74, no. 4, 2006, doi:10.1103/physrevb.74.045422.
LibreCat: /record/13690
DOI: 10.1103/physrevb.74.045422

Biering, S., et al. “Adsorption of Water on Chlorine-Terminated Si(111) from First Principles: Substrate-Induced Ordering versus Intermolecular Interactions.”10.1103/physrevb.73.235429__Physical Review B, vol. 73, no. 23, 2006, doi:10.1103/physrevb.73.235429.
LibreCat: /record/13691
DOI: 10.1103/physrevb.73.235429

Schmidt, Wolf Gero, et al. “Si(001) Surface Optical Anisotropies Induced by <0-Conjugated Overlayers and Oxidation.”10.1016/j.cap.2005.11.069__Current Applied Physics, vol. 6, 2006, pp. 525–30, doi:10.1016/j.cap.2005.11.069.
LibreCat: /record/13692
DOI: 10.1016/j.cap.2005.11.069

Schmidt, Wolf Gero, and K. Seino. “Si(001) c(4×2)–p(2×2) Surface Phase Transitions Induced by Electric Fields and Doping.”10.1016/j.cap.2005.11.012__Current Applied Physics, vol. 6, 2006, pp. 331–33, doi:10.1016/j.cap.2005.11.012.
LibreCat: /record/13693
DOI: 10.1016/j.cap.2005.11.012

Seino, K., et al. “Ga-RichGaAs(001)Surface Fromab Initiocalculations: Atomic Structure of the(4×6)and(6×6)Reconstructions.”10.1103/physrevb.73.035317__Physical Review B, vol. 73, no. 3, 2006, doi:10.1103/physrevb.73.035317.
LibreCat: /record/13694
DOI: 10.1103/physrevb.73.035317

Hahn, P. H., et al. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.”10.1103/physrevb.72.245425__Physical Review B, vol. 72, no. 24, 2006, doi:10.1103/physrevb.72.245425.
LibreCat: /record/13695
DOI: 10.1103/physrevb.72.245425

Ortmann, F., et al. “Semiempirical van Der Waals Correction to the Density Functional Description of Solids and Molecular Structures.”10.1103/physrevb.73.205101__Physical Review B, vol. 73, no. 20, 2006, doi:10.1103/physrevb.73.205101.
LibreCat: /record/13845
DOI: 10.1103/physrevb.73.205101

Bechstedt, F., et al. “Quasiparticle Bands and Optical Spectra of Highly Ionic Crystals: AlN and NaCl.”10.1103/physrevb.72.245114__Physical Review B, vol. 72, no. 24, 2005, doi:10.1103/physrevb.72.245114.
LibreCat: /record/13696
DOI: 10.1103/physrevb.72.245114

Ortmann, F., et al. “Attracted by Long-Range Electron Correlation: Adenine on Graphite.”10.1103/physrevlett.95.186101__Physical Review Letters, vol. 95, no. 18, 2005, doi:10.1103/physrevlett.95.186101.
LibreCat: /record/13697
DOI: 10.1103/physrevlett.95.186101

Schmidt, Wolf Gero. “Calculation of Reflectance Anisotropy for Semiconductor Surface Exploration.”10.1002/pssb.200541112__Physica Status Solidi (B), vol. 242, no. 13, 2005, pp. 2751–64, doi:10.1002/pssb.200541112.
LibreCat: /record/13698
DOI: 10.1002/pssb.200541112

Hahn, P. H., et al. “Quasiparticle and Excitonic Effects in the Optical Spectra of Diamond, SiC, Si, GaP, GaAs, InP, and AlN.”10.1002/pssb.200541128__Physica Status Solidi (B), vol. 242, no. 13, 2005, pp. 2720–28, doi:10.1002/pssb.200541128.
LibreCat: /record/13699
DOI: 10.1002/pssb.200541128

Esser, N., et al. “VUV-Ellipsometry on GaN: Probing Conduction Band Properties by Core Level Excitations.”10.1002/pssb.200541315__Physica Status Solidi (B), vol. 242, no. 13, 2005, pp. 2601–09, doi:10.1002/pssb.200541315.
LibreCat: /record/13700
DOI: 10.1002/pssb.200541315

Fuchs, F., et al. “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations.”10.1021/jp0501087__The Journal of Physical Chemistry B, vol. 109, 2005, pp. 17649–53, doi:10.1021/jp0501087.
LibreCat: /record/13701
DOI: 10.1021/jp0501087

Fuchs, F., et al. “Understanding the Optical Anisotropy of Oxidized Si(001) Surfaces.”10.1103/physrevb.72.075353__Physical Review B, vol. 72, no. 7, 2005, doi:10.1103/physrevb.72.075353.
LibreCat: /record/13702
DOI: 10.1103/physrevb.72.075353

Preuss, M., et al. “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110).”10.1103/physrevlett.94.236102__Physical Review Letters, vol. 94, 2005, doi:10.1103/physrevlett.94.236102.
LibreCat: /record/13703
DOI: 10.1103/physrevlett.94.236102

Seino, K., and Wolf Gero Schmidt. “Conformation-Selective Adsorption of 2,3-Butanediol on Si(001).”10.1016/j.susc.2005.04.029__Surface Science, 2005, pp. 191–96, doi:10.1016/j.susc.2005.04.029.
LibreCat: /record/13704
DOI: 10.1016/j.susc.2005.04.029

Leitsmann, R., et al. “Second-Harmonic Polarizability Including Electron-Hole Attraction from Band-Structure Theory.”10.1103/physrevb.71.195209__Physical Review B, vol. 71, 2005, doi:10.1103/physrevb.71.195209.
LibreCat: /record/13705
DOI: 10.1103/physrevb.71.195209

Hermann, A., et al. “Optical Response Of<0-Conjugated Molecular Monolayer Adsorbed on the Semiconductor Si(001) Surface: A First-Principles Study.”10.1103/physrevb.71.153311__Physical Review B, vol. 71, 2005, doi:10.1103/physrevb.71.153311.
LibreCat: /record/13706
DOI: 10.1103/physrevb.71.153311

Hermann, Andreas, et al. “Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response.”10.1021/jp0500182__The Journal of Physical Chemistry B, vol. 109, 2005, pp. 7928–33, doi:10.1021/jp0500182.
LibreCat: /record/13707
DOI: 10.1021/jp0500182

Hahn, P. H., et al. “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding.”10.1103/physrevlett.94.037404__Physical Review Letters, vol. 94, 2005, p. 037404, doi:10.1103/physrevlett.94.037404.
LibreCat: /record/13709
DOI: 10.1103/physrevlett.94.037404