Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory A Gulans, S Kontur, C Meisenbichler, D Nabok, P Pavone, S Rigamonti, ... Journal of Physics: Condensed Matter 26 (36), 363202, 2014 | 386 | 2014 |
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 |
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 |
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 |
Switchable electric polarization and ferroelectric domains in a metal-organic-framework P Jain, A Stroppa, D Nabok, A Marino, A Rubano, D Paparo, M Matsubara, ... npj Quantum Materials 1 (1), 1-6, 2016 | 117 | 2016 |
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 |
Accurate all-electron quasiparticle energies employing the full-potential augmented plane-wave method D Nabok, A Gulans, C Draxl Physical Review B 94 (3), 035118, 2016 | 96 | 2016 |
Organic/Inorganic Hybrid Materials: Challenges for ab Initio Methodology C Draxl, D Nabok, K Hannewald Accounts of chemical research 47 (11), 3225-3232, 2014 | 91 | 2014 |
Initial stages of a para-hexaphenyl film growth on amorphous mica T Potocar, S Lorbek, D Nabok, Q Shen, L Tumbek, G Hlawacek, ... Physical Review B—Condensed Matter and Materials Physics 83 (7), 075423, 2011 | 75 | 2011 |
Epitaxy of Rodlike Organic Molecules on Sheet Silicates A Growth Model Based on Experiments and Simulations C Simbrunner, D Nabok, G Hernandez-Sosa, M Oehzelt, T Djuric, R Resel, ... Journal of the American Chemical Society 133 (9), 3056-3062, 2011 | 73 | 2011 |
Reproducibility in density functional theory calculations of solids MIJ Probert, PJ Hasnip, K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, ... Science 351 (6280), aad3000, 2016 | 70 | 2016 |
Electric-magneto-optical Kerr effect in a hybrid organic–inorganic perovskite FR Fan, H Wu, D Nabok, S Hu, W Ren, C Draxl, A Stroppa Journal of the American Chemical Society 139 (37), 12883-12886, 2017 | 55 | 2017 |
Atomic signatures of local environment from core-level spectroscopy in C Cocchi, H Zschiesche, D Nabok, A Mogilatenko, M Albrecht, Z Galazka, ... Physical Review B 94 (7), 075147, 2016 | 51 | 2016 |
Structure solution of the 6, 13-pentacenequinone surface-induced polymorph by combining X-ray diffraction reciprocal-space mapping and theoretical structure modeling I Salzmann, D Nabok, M Oehzelt, S Duhm, A Moser, G Heimel, ... Crystal growth & design 11 (2), 600-606, 2011 | 50 | 2011 |
State-of-matter-dependent charge-transfer interactions between planar molecules for doping applications P Beyer, D Pham, C Peter, N Koch, E Meister, W Brütting, L Grubert, ... Chemistry of Materials 31 (4), 1237-1249, 2019 | 41 | 2019 |
Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride W Aggoune, C Cocchi, D Nabok, K Rezouali, MA Belkhir, C Draxl Physical Review B 97 (24), 241114, 2018 | 36 | 2018 |
Enhanced light–matter interaction in graphene/h-bn van der waals heterostructures W Aggoune, C Cocchi, D Nabok, K Rezouali, M Akli Belkhir, C Draxl The Journal of Physical Chemistry Letters 8 (7), 1464-1471, 2017 | 30 | 2017 |
noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique D Nabok, P Puschnig, C Ambrosch-Draxl Computer physics communications 182 (8), 1657-1662, 2011 | 28 | 2011 |