Josep Ricart
Josep Ricart
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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
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
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
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
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
Critical Size for O2 Dissociation by Au Nanoparticles
A Roldán, S González, JM Ricart, F Illas
ChemPhysChem 10 (2), 348-351, 2009
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
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
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
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
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
Electronic and magnetic structure of KNiF 3 perovskite
JM Ricart, R Dovesi, C Roetti, VR Saunders
Physical Review B 52 (4), 2381, 1995
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
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
Selected versus complete configuration interaction expansions
F Illas, J Rubio, JM Ricart, PS Bagus
The Journal of chemical physics 95 (3), 1877-1883, 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
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
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
Study of the heterometallic bond nature in PdCu (111) surfaces
M Fernandez-Garcia, JC Conesa, A Clotet, JM Ricart, N López, F Illas
The Journal of Physical Chemistry B 102 (1), 141-147, 1998
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
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