| Origin of the large N 1s binding energy in X-ray photoelectron spectra of calcined carbonaceous materials J Casanovas, JM Ricart, J Rubio, F Illas, JM Jiménez-Mateos Journal of the American Chemical Society 118 (34), 8071-8076, 1996 | 555 | 1996 |
| Ab initio cluster model calculations on the chemisorption of CO2 and SO2 probe molecules on MgO and CaO (100) surfaces. A theoretical measure of oxide basicity G Pacchioni, JM Ricart, F Illas Journal of the American Chemical Society 116 (22), 10152-10158, 1994 | 355 | 1994 |
| Site preference of CO chemisorbed on Pt (1 1 1) from density functional calculations A Gil, A Clotet, JM Ricart, G Kresse, M Garcı́a-Hernández, N Rösch, ... Surface science 530 (1-2), 71-87, 2003 | 210 | 2003 |
| DFT Characterization of Adsorbed NHx Species on Pt(100) and Pt(111) Surfaces G Novell-Leruth, A Valcarcel, A Clotet, JM Ricart, J Perez-Ramirez The Journal of Physical Chemistry B 109 (38), 18061-18069, 2005 | 137 | 2005 |
| Critical Size for O2 Dissociation by Au Nanoparticles A Roldán, S González, JM Ricart, F Illas ChemPhysChem 10 (2), 348-351, 2009 | 133 | 2009 |
| Ammonia dehydrogenation over platinum-group metal surfaces. Structure, stability, and reactivity of adsorbed NH x species G Novell-Leruth, A Valcarcel, J Pérez-Ramírez, JM Ricart The Journal of Physical Chemistry C 111 (2), 860-868, 2007 | 129 | 2007 |
| Pt (100)-catalyzed ammonia oxidation studied by DFT: Mechanism and microkinetics G Novell-Leruth, JM Ricart, J Pérez-Ramírez The Journal of Physical Chemistry C 112 (35), 13554-13562, 2008 | 114 | 2008 |
| A theoretical study of the adsorption and reaction of SO2 at surface and step sites of the MgO (100) surface G Pacchioni, A Clotet, JM Ricart Surface science 315 (3), 337-350, 1994 | 104 | 1994 |
| On modelling the interaction of CO on the MgO (100) surface JA Mejias, AM Marquez, JF Sanz, M Fernandez-Garcia, JM Ricart, ... Surface science 327 (1-2), 59-73, 1995 | 102 | 1995 |
| Comparative DFT study of the adsorption of 1, 3-butadiene, 1-butene and 2-cis/trans-butenes on the Pt (1 1 1) and Pd (1 1 1) surfaces A Valcárcel, A Clotet, JM Ricart, F Delbecq, P Sautet Surface science 549 (2), 121-133, 2004 | 99 | 2004 |
| Ab initio cluster model study of the chemisorption of CO on low-index platinum surfaces D Curulla, A Clotet, JM Ricart, F Illas The Journal of Physical Chemistry B 103 (25), 5246-5255, 1999 | 99 | 1999 |
| Interaction of CO and NO with PdCu (111) Surfaces F Illas, N López, JM Ricart, A Clotet, JC Conesa, M Fernández-García The Journal of Physical Chemistry B 102 (41), 8017-8023, 1998 | 92 | 1998 |
| Electronic and magnetic structure of KNiF 3 perovskite JM Ricart, R Dovesi, C Roetti, VR Saunders Physical Review B 52 (4), 2381, 1995 | 92 | 1995 |
| Ammonia dissociation on Pt {100}, Pt {111}, and Pt {211}: a comparative density functional theory study WK Offermans, APJ Jansen, RA Van Santen, G Novell-Leruth, JM Ricart, ... The Journal of Physical Chemistry C 111 (47), 17551-17557, 2007 | 88 | 2007 |
| Selected versus complete configuration interaction expansions F Illas, J Rubio, JM Ricart, PS Bagus The Journal of chemical physics 95 (3), 1877-1883, 1991 | 84 | 1991 |
| Charge Polarization at a Au–TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low‐Temperature Water–Gas Shift Reaction JA Rodriguez, PJ Ramírez, GG Asara, F Viñes, J Evans, P Liu, JM Ricart, ... Angewandte Chemie 126 (42), 11452-11456, 2014 | 71 | 2014 |
| Density functional studies of coinage metal nanoparticles: scalability of their properties to bulk A Roldán, F Viñes, F Illas, JM Ricart, KM Neyman Theoretical Chemistry Accounts 120, 565-573, 2008 | 65 | 2008 |
| Approximate natural orbitals and the convergence of a second order multireference many‐body perturbation theory (CIPSI) algorithm F Illas, J Rubio, JM Ricart The Journal of chemical physics 89 (10), 6376-6384, 1988 | 58 | 1988 |
| Mechanism of ammonia oxidation over PGM (Pt, Pd, Rh) wires by temporal analysis of products and density functional theory J Pérez-Ramírez, EV Kondratenko, G Novell-Leruth, JM Ricart Journal of catalysis 261 (2), 217-223, 2009 | 56 | 2009 |
| Density functional studies on the adsorption and decomposition of on Cu(100) JA Rodriguez, JM Ricart, A Clotet, F Illas The Journal of chemical physics 115 (1), 454-465, 2001 | 55 | 2001 |
Francesc IllasDepartament de Ciència de Materials i Química Fisica & IQTCUB, Universitat de BarcelonaVerified email at ub.edu
