S. Blankenburg and W. G. Schmidt, “Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer,” Physical Review Letters, vol. 99, no. 19, 2007.
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

S. Blankenburg and W. G. Schmidt, “Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110),” Nanotechnology, vol. 18, 2007.
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

S. Wippermann et al., “Quantum conductance of In nanowires on Si(111) from first principles calculations,” Surface Science, pp. 4045–4047, 2007.
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

J. Bernholc et al., “Atomic scale design of nanostructures,” Molecular Physics, pp. 147–156, 2007.
LibreCat: /record/13682
DOI: 10.1080/00268970701189186

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

T. Letzig, F. Willig, P. H. Hahn, and W. G. Schmidt, “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.
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307

M. Preuss, F. Bechstedt, W. G. Schmidt, J. Sochos, B. Schröter, and W. Richter, “Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS,” Physical Review B, vol. 74, no. 23, 2006.
LibreCat: /record/13685
DOI: 10.1103/physrevb.74.235406

W. G. Schmidt, K. Seino, M. Preuss, A. Hermann, F. Ortmann, and F. Bechstedt, “Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction,” Applied Physics A, vol. 85, pp. 387–397, 2006.
LibreCat: /record/13686
DOI: 10.1007/s00339-006-3691-0

S. Blankenburg and W. G. Schmidt, “Adsorption of phenylglycine on copper: Density functional calculations,” Physical Review B, vol. 74, no. 15, 2006.
LibreCat: /record/13688
DOI: 10.1103/physrevb.74.155419

M. Preuss, R. Miotto, F. Bechstedt, T. Rada, N. V. Richardson, and W. G. Schmidt, “Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS,” Physical Review B, vol. 74, no. 11, 2006.
LibreCat: /record/13689
DOI: 10.1103/physrevb.74.115402

C. Thierfelder, A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations,” Physical Review B, vol. 74, no. 4, 2006.
LibreCat: /record/13690
DOI: 10.1103/physrevb.74.045422

S. Biering, A. Hermann, and W. G. Schmidt, “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.
LibreCat: /record/13691
DOI: 10.1103/physrevb.73.235429

W. G. Schmidt, A. Hermann, F. Fuchs, and F. Bechstedt, “Si(001) surface optical anisotropies induced by <0-conjugated overlayers and oxidation,” Current Applied Physics, vol. 6, pp. 525–530, 2006.
LibreCat: /record/13692
DOI: 10.1016/j.cap.2005.11.069

W. G. Schmidt and K. Seino, “Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping,” Current Applied Physics, vol. 6, pp. 331–333, 2006.
LibreCat: /record/13693
DOI: 10.1016/j.cap.2005.11.012

K. Seino, W. G. Schmidt, and A. Ohtake, “Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions,” Physical Review B, vol. 73, no. 3, 2006.
LibreCat: /record/13694
DOI: 10.1103/physrevb.73.035317

P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics,” Physical Review B, vol. 72, no. 24, 2006.
LibreCat: /record/13695
DOI: 10.1103/physrevb.72.245425

F. Ortmann, F. Bechstedt, and W. G. Schmidt, “Semiempirical van der Waals correction to the density functional description of solids and molecular structures,” Physical Review B, vol. 73, no. 20, 2006.
LibreCat: /record/13845
DOI: 10.1103/physrevb.73.205101

F. Bechstedt, K. Seino, P. H. Hahn, and W. G. Schmidt, “Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl,” Physical Review B, vol. 72, no. 24, 2005.
LibreCat: /record/13696
DOI: 10.1103/physrevb.72.245114

F. Ortmann, W. G. Schmidt, and F. Bechstedt, “Attracted by Long-Range Electron Correlation: Adenine on Graphite,” Physical Review Letters, vol. 95, no. 18, 2005.
LibreCat: /record/13697
DOI: 10.1103/physrevlett.95.186101

W. G. Schmidt, “Calculation of reflectance anisotropy for semiconductor surface exploration,” physica status solidi (b), vol. 242, no. 13, pp. 2751–2764, 2005.
LibreCat: /record/13698
DOI: 10.1002/pssb.200541112