| ElaStic: A tool for calculating second-order elastic constants from first principles R Golesorkhtabar, P Pavone, J Spitaler, P Puschnig, C Draxl Computer Physics Communications 184 (8), 1861-1873, 2013 | 460 | 2013 |
| Reconstruction of molecular orbital densities from photoemission data P Puschnig, S Berkebile, AJ Fleming, G Koller, K Emtsev, T Seyller, ... Science 326 (5953), 702-706, 2009 | 378 | 2009 |
| Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag (111), Au (111) and Cu (111) L Romaner, D Nabok, P Puschnig, E Zojer, C Ambrosch-Draxl New Journal of Physics 11 (5), 053010, 2009 | 246 | 2009 |
| Characterization of step-edge barriers in organic thin-film growth G Hlawacek, P Puschnig, P Frank, A Winkler, C Ambrosch-Draxl, ... Science 321 (5885), 108-111, 2008 | 227 | 2008 |
| Intra-and intermolecular band dispersion in an organic crystal G Koller, S Berkebile, M Oehzelt, P Puschnig, C Ambrosch-Draxl, ... Science 317 (5836), 351-355, 2007 | 217 | 2007 |
| Importance of Van Der Waals Interaction for Organic Molecule-Metal Junctions:<? format?> Adsorption of Thiophene on Cu (110) as a Prototype P Sony, P Puschnig, D Nabok, C Ambrosch-Draxl Physical review letters 99 (17), 176401, 2007 | 197 | 2007 |
| Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations D Nabok, P Puschnig, C Ambrosch-Draxl, O Werzer, R Resel, ... Physical Review B—Condensed Matter and Materials Physics 76 (23), 235322, 2007 | 182 | 2007 |
| Optical absorption spectra of semiconductors and insulators including electron-hole correlations: An ab initio study within the LAPW method P Puschnig, C Ambrosch-Draxl Physical Review B 66 (16), 165105, 2002 | 172 | 2002 |
| Ab initio calculations of grain boundaries in bcc metals D Scheiber, R Pippan, P Puschnig, L Romaner Modelling and Simulation in Materials Science and Engineering 24 (3), 035013, 2016 | 159 | 2016 |
| Hybridization of Organic Molecular Orbitals with Substrate States at Interfaces:<? format?> PTCDA on Silver J Ziroff, F Forster, A Schoell, P Puschnig, F Reinert Physical review letters 104 (23), 233004, 2010 | 148 | 2010 |
| First-principles calculation of hot-electron scattering in metals F Ladstädter, U Hohenester, P Puschnig, C Ambrosch-Draxl Physical Review B—Condensed Matter and Materials Physics 70 (23), 235125, 2004 | 142 | 2004 |
| Orbital tomography: Deconvoluting photoemission spectra of organic molecules P Puschnig, EM Reinisch, T Ules, G Koller, S Soubatch, M Ostler, ... Physical Review B—Condensed Matter and Materials Physics 84 (23), 235427, 2011 | 135 | 2011 |
| The role of polymorphism in organic thin films: oligoacenes investigated from first principles C Ambrosch-Draxl, D Nabok, P Puschnig, C Meisenbichler New journal of physics 11 (12), 125010, 2009 | 127 | 2009 |
| Epitaxial growth of π-stacked perfluoropentacene on graphene-coated quartz I Salzmann, A Moser, M Oehzelt, T Breuer, X Feng, ZY Juang, D Nabok, ... ACS nano 6 (12), 10874-10883, 2012 | 119 | 2012 |
| The interplay between interface structure, energy level alignment and chemical bonding strength at organic–metal interfaces M Willenbockel, D Lüftner, B Stadtmüller, G Koller, C Kumpf, S Soubatch, ... Physical Chemistry Chemical Physics 17 (3), 1530-1548, 2015 | 117 | 2015 |
| Density-functional study for the oligomers of poly (para-phenylene): Band structures and dielectric tensors P Puschnig, C Ambrosch-Draxl Physical Review B 60 (11), 7891, 1999 | 117 | 1999 |
| Cohesive and surface energies of -conjugated organic molecular crystals: A first-principles study D Nabok, P Puschnig, C Ambrosch-Draxl Physical Review B—Condensed Matter and Materials Physics 77 (24), 245316, 2008 | 110 | 2008 |
| Lowest Optical Excitations in Molecular Crystals:<? format?> Bound Excitons versus Free Electron-Hole Pairs in Anthracene K Hummer, P Puschnig, C Ambrosch-Draxl Physical review letters 92 (14), 147402, 2004 | 109 | 2004 |
| Charge transfer and orbital level alignment at inorganic/organic interfaces: the role of dielectric interlayers M Hollerer, D Lüftner, P Hurdax, T Ules, S Soubatch, FS Tautz, G Koller, ... ACS nano 11 (6), 6252-6260, 2017 | 107 | 2017 |
| Ab initio description of segregation and cohesion of grain boundaries in W–25 at.% Re alloys D Scheiber, VI Razumovskiy, P Puschnig, R Pippan, L Romaner Acta Materialia 88, 180-189, 2015 | 107 | 2015 |
Claudia DraxlEinstein Professor of Physics, Humboldt-Universität zu BerlinVerified email at physik.hu-berlin.de
