@article{13655,
  author       = {{Thissen, P. and Grundmeier, Guido and Wippermann, S. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  title        = {{{Water adsorption on the α-Al2O3(0001) surface}}},
  doi          = {{10.1103/physrevb.80.245403}},
  volume       = {{80}},
  year         = {{2009}},
}

@article{13802,
  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 Dal Corso, Andrea and de Gironcoli, Stefano and Fabris, Stefano and Fratesi, Guido and Gebauer, Ralph and Gerstmann, Uwe and Gougoussis, Christos and Kokalj, Anton and Lazzeri, Michele and Martin-Samos, Layla and Marzari, Nicola and Mauri, Francesco and Mazzarello, Riccardo and Paolini, Stefano and Pasquarello, Alfredo and Paulatto, Lorenzo and Sbraccia, Carlo and Scandolo, Sandro and Sclauzero, Gabriele and Seitsonen, Ari P and Smogunov, Alexander and Umari, Paolo and Wentzcovitch, Renata M}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  number       = {{39}},
  title        = {{{QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials}}},
  doi          = {{10.1088/0953-8984/21/39/395502}},
  volume       = {{21}},
  year         = {{2009}},
}

@article{13676,
  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.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{LiNbO3ground- and excited-state properties from first-principles calculations}}},
  doi          = {{10.1103/physrevb.77.035106}},
  volume       = {{77}},
  year         = {{2008}},
}

@article{13674,
  author       = {{Wippermann, S. and Koch, N. and Schmidt, Wolf Gero}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{10}},
  title        = {{{Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects}}},
  doi          = {{10.1103/physrevlett.100.106802}},
  volume       = {{100}},
  year         = {{2008}},
}

@article{13666,
  author       = {{Wippermann, S. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{23}},
  title        = {{{Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles}}},
  doi          = {{10.1103/physrevb.78.235439}},
  volume       = {{78}},
  year         = {{2008}},
}

@article{13671,
  author       = {{Hermann, A. and Schmidt, Wolf Gero and Schwerdtfeger, P.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{20}},
  title        = {{{Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects}}},
  doi          = {{10.1103/physrevlett.100.207403}},
  volume       = {{100}},
  year         = {{2008}},
}

@article{13669,
  author       = {{Rauls, E. and Dijkstra, S. J. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{11}},
  title        = {{{Atomic structure and energetics of thec-GaN(001) surface}}},
  doi          = {{10.1103/physrevb.78.113302}},
  volume       = {{78}},
  year         = {{2008}},
}

@article{13670,
  author       = {{Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{2170--2174}},
  title        = {{{DFT calculations of adenine adsorption on coin metal (110) surfaces}}},
  doi          = {{10.1016/j.susc.2008.04.029}},
  volume       = {{602}},
  year         = {{2008}},
}

@article{13675,
  author       = {{Lange, B. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{1207--1211}},
  title        = {{{Ammonia adsorption on Cl/Si(001): First-principles calculations}}},
  doi          = {{10.1016/j.susc.2008.01.024}},
  volume       = {{602}},
  year         = {{2008}},
}

@article{13672,
  author       = {{Hermann, A and Schwerdtfeger, P and Schmidt, Wolf Gero}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  title        = {{{Theoretical study of the localization of excess electrons at the surface of ice}}},
  doi          = {{10.1088/0953-8984/20/22/225003}},
  volume       = {{20}},
  year         = {{2008}},
}

@article{13668,
  author       = {{Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{1932-7447}},
  journal      = {{Journal of Physical Chemistry C}},
  pages        = {{11490--11494}},
  title        = {{{Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110)}}},
  doi          = {{10.1021/jp8037297}},
  volume       = {{112}},
  year         = {{2008}},
}

@article{13663,
  author       = {{Wippermann, S. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{247--250}},
  title        = {{{Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array}}},
  doi          = {{10.1016/j.susc.2008.11.013}},
  volume       = {{603}},
  year         = {{2008}},
}

@article{13667,
  author       = {{Blankenburg, S. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{Spatial modulation of molecular adsorption energies due to indirect interaction}}},
  doi          = {{10.1103/physrevb.78.233411}},
  volume       = {{78}},
  year         = {{2008}},
}

@article{13683,
  author       = {{Stekolnikov, A. A. and Seino, K. and Bechstedt, F. and Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{2}},
  title        = {{{Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance}}},
  doi          = {{10.1103/physrevlett.98.026105}},
  volume       = {{98}},
  year         = {{2007}},
}

@article{13678,
  author       = {{Blankenburg, S. and Schmidt, Wolf Gero}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{19}},
  title        = {{{Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer}}},
  doi          = {{10.1103/physrevlett.99.196107}},
  volume       = {{99}},
  year         = {{2007}},
}

@article{13681,
  author       = {{Wippermann, S. and Schmidt, Wolf Gero and Calzolari, A. and Nardelli, M. Buongiorno and Stekolnikov, A.A. and Seino, K. and Bechstedt, F.}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{4045--4047}},
  title        = {{{Quantum conductance of In nanowires on Si(111) from first principles calculations}}},
  doi          = {{10.1016/j.susc.2007.04.053}},
  year         = {{2007}},
}

@article{13680,
  author       = {{Blankenburg, S and Schmidt, Wolf Gero}},
  issn         = {{0957-4484}},
  journal      = {{Nanotechnology}},
  title        = {{{Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)}}},
  doi          = {{10.1088/0957-4484/18/42/424030}},
  volume       = {{18}},
  year         = {{2007}},
}

@article{13677,
  author       = {{Thierfelder, C. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{19}},
  title        = {{{Ethanol adsorbed on ice: A first-principles study}}},
  doi          = {{10.1103/physrevb.76.195426}},
  volume       = {{76}},
  year         = {{2007}},
}

@article{13688,
  author       = {{Blankenburg, S. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{15}},
  title        = {{{Adsorption of phenylglycine on copper: Density functional calculations}}},
  doi          = {{10.1103/physrevb.74.155419}},
  volume       = {{74}},
  year         = {{2006}},
}

@article{13684,
  author       = {{Letzig, T. and Willig, F. and Hahn, P. H. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  title        = {{{Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface}}},
  doi          = {{10.1103/physrevb.74.245307}},
  volume       = {{74}},
  year         = {{2006}},
}