| Electronic structure approach for complex silicas AA Demkov, J Ortega, OF Sankey, MP Grumbach Physical Review B 52 (3), 1618, 1995 | 455 | 1995 |
| Fullerenes from aromatic precursors by surface-catalysed cyclodehydrogenation G Otero, G Biddau, C Sánchez-Sánchez, R Caillard, MF López, C Rogero, ... Nature 454 (7206), 865-868, 2008 | 382 | 2008 |
| Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level H Vázquez, R Oszwaldowski, P Pou, J Ortega, R Pérez, F Flores, A Kahn Europhysics Letters 65 (6), 802, 2004 | 296 | 2004 |
| Further developments in the local-orbital density-functional-theory tight-binding method JP Lewis, KR Glaesemann, GA Voth, J Fritsch, AA Demkov, J Ortega, ... Physical Review B 64 (19), 195103, 2001 | 296 | 2001 |
| Multicenter approach to the exchange-correlation interactions in ab initio tight-binding methods P Jelínek, H Wang, JP Lewis, OF Sankey, J Ortega Physical Review B—Condensed Matter and Materials Physics 71 (23), 235101, 2005 | 290 | 2005 |
| Energy level alignment at metal/organic semiconductor interfaces:“Pillow” effect, induced density of interface states, and charge neutrality level H Vázquez, YJ Dappe, J Ortega, F Flores The Journal of chemical physics 126 (14), 2007 | 270 | 2007 |
| Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism JP Lewis, P Jelínek, J Ortega, AA Demkov, DG Trabada, B Haycock, ... physica status solidi (b) 248 (9), 1989-2007, 2011 | 263 | 2011 |
| Barrier formation at metal–organic interfaces: dipole formation and the charge neutrality level H Vázquez, F Flores, R Oszwaldowski, J Ortega, R Pérez, A Kahn Applied surface science 234 (1-4), 107-112, 2004 | 256 | 2004 |
| Dynamical fluctuations as the origin of a surface phase transition in Sn/Ge (111) J Avila, A Mascaraque, EG Michel, MC Asensio, G LeLay, J Ortega, ... Physical review letters 82 (2), 442, 1999 | 221 | 1999 |
| Modelling energy level alignment at organic interfaces and density functional theory F Flores, J Ortega, H Vázquez Physical Chemistry Chemical Physics 11 (39), 8658-8675, 2009 | 182 | 2009 |
| Relative stability of hexagonal and planar structures of hypothetical C 3 N 4 solids J Ortega, OF Sankey Physical Review B 51 (4), 2624, 1995 | 181 | 1995 |
| Optimized atomic-like orbitals for first-principles tight-binding molecular dynamics MA Basanta, YJ Dappe, P Jelínek, J Ortega Computational materials science 39 (4), 759-766, 2007 | 165 | 2007 |
| Weak chemical interaction and van der Waals forces between graphene layers: A combined density functional and intermolecular perturbation theory approach YJ Dappe, MA Basanta, F Flores, J Ortega Physical Review B—Condensed Matter and Materials Physics 74 (20), 205434, 2006 | 143 | 2006 |
| Soft Phonon, Dynamical Fluctuations, and a Reversible Phase Transition:<? format?> Indium Chains on Silicon C González, F Flores, J Ortega Physical review letters 96 (13), 136101, 2006 | 136 | 2006 |
| First-principles simulations of STM images: from tunneling to the contact regime JM Blanco, C González, P Jelínek, J Ortega, F Flores, R Pérez Physical Review B—Condensed Matter and Materials Physics 70 (8), 085405, 2004 | 122 | 2004 |
| An inversion technique for the calculation of embedding potentials O Roncero, MP de Lara-Castells, P Villarreal, F Flores, J Ortega, ... The Journal of chemical physics 129 (18), 2008 | 113 | 2008 |
| Schottky contacts on passivated GaAs (1 0 0) surfaces: barrier height and reactivity T Kampen, A Schüller, DRT Zahn, B Biel, J Ortega, R Pérez, F Flores Applied surface science 234 (1-4), 341-348, 2004 | 102 | 2004 |
| First-principles simulations of the stretching and final breaking of Al nanowires: mechanical properties and electrical conductance P Jelínek, R Pérez, J Ortega, F Flores Physical Review B 68 (8), 085403, 2003 | 97 | 2003 |
| Surface Soft Phonon and the Phase Transition in and R Pérez, J Ortega, F Flores Physical Review Letters 86 (21), 4891, 2001 | 97 | 2001 |
| Intermolecular interaction in density functional theory: Application to carbon nanotubes and fullerenes YJ Dappe, J Ortega, F Flores Physical Review B—Condensed Matter and Materials Physics 79 (16), 165409, 2009 | 88 | 2009 |
James P. LewisWest Virginia UniversityVerifierad e-postadress på mail.wvu.edu