Articles with public access mandates - Núria LópezLearn more
Not available anywhere: 21
Promoters in the hydrogenation of alkynes in mixtures: insights from density functional theory
N López, C Vargas-Fuentes
Chemical communications 48 (10), 1379-1391, 2012
Mandates: Government of Spain
On the mechanism behind the instability of isoreticular metal–organic frameworks (irmofs) in humid environments
L Bellarosa, JM Castillo, T Vlugt, S Calero, N López
Chemistry–A European Journal 18 (39), 12260-12266, 2012
Mandates: Government of Spain
Costless derivation of dispersion coefficients for metal surfaces
N Almora-Barrios, G Carchini, P Błoński, N Lopez
Journal of chemical theory and computation 10 (11), 5002-5009, 2014
Mandates: European Commission
Interaction mechanisms of ammonia and tin oxide: A combined analysis using single nanowire devices and DFT calculations
F Shao, MWG Hoffmann, JD Prades, JR Morante, N Lopez, ...
The Journal of Physical Chemistry C 117 (7), 3520-3526, 2013
Mandates: Government of Spain
On the properties of binary rutile MO2 compounds, M= Ir, Ru, Sn, and Ti: a DFT study
G Novell-Leruth, G Carchini, N López
The Journal of chemical physics 138 (19), 2013
Mandates: Government of Spain
Carrier‐Induced Modification of Palladium Nanoparticles on Porous Boron Nitride for Alkyne Semi‐Hydrogenation
S Büchele, Z Chen, E Fako, F Krumeich, R Hauert, OV Safonova, N López, ...
Angewandte Chemie 132 (44), 19807-19812, 2020
Mandates: Swiss National Science Foundation, Banking Foundation "la Caixa", Government …
Mechanically Constrained Catalytic Mn(CO)3Br Single Sites in a Two-Dimensional Covalent Organic Framework for CO2 Electroreduction in H2O
GC Dubed Bandomo, SS Mondal, F Franco, A Bucci, ...
ACS Catalysis 11 (12), 7210-7222, 2021
Mandates: European Commission, Government of Spain
State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level
N Lopez, N Almora-Barrios, G Carchini, P Błoński, L Bellarosa, ...
Catalysis Science & Technology 2 (12), 2405-2417, 2012
Mandates: Government of Spain
The active molybdenum oxide phase in the methanol oxidation to formaldehyde (Formox process): A DFT study
M Rellán‐Piñeiro, N Lopez
ChemSusChem 8 (13), 2231-2239, 2015
Mandates: European Commission, Government of Spain
How ligands improve the hydrothermal stability and affect the adsorption in the IRMOF family
L Bellarosa, JJ Gutiérrez-Sevillano, S Calero, N López
Physical Chemistry Chemical Physics 15 (40), 17696-17704, 2013
Mandates: Government of Spain
Ein stabiler “Single‐site”‐Palladiumkatalysator für Hydrierungen
G Vilé, D Albani, M Nachtegaal, Z Chen, D Dontsova, M Antonietti, ...
Angewandte Chemie 127 (38), 11417-11422, 2015
Mandates: Government of Spain
Collective descriptors for the adsorption of sugar alcohols on Pt and Pd (111)
R Garcia-Muelas, N Lopez
The Journal of Physical Chemistry C 118 (31), 17531-17537, 2014
Mandates: Government of Spain
Strategies to simultaneously enhance the hydrostability and the alcohol–water separation behavior of Cu-BTC
JJ Gutierrez-Sevillano, D Dubbeldam, L Bellarosa, N Lopez, X Liu, ...
The Journal of Physical Chemistry C 117 (40), 20706-20714, 2013
Mandates: Government of Spain
Molecular understanding of enyne hydrogenation over palladium and copper catalysts
B Bridier, D Karhánek, J Pérez‐Ramírez, N López
ChemCatChem 4 (9), 1420-1427, 2012
Mandates: Government of Spain
Complementary probes for the electrochemical interface
E Pastor, Z Lian, L Xia, D Ecija, JR Galán-Mascarós, S Barja, S Giménez, ...
Nature Reviews Chemistry 8 (3), 159-178, 2024
Mandates: Banking Foundation "la Caixa", European Commission, Agence Nationale de la …
Mechanistic analysis of direct N2O decomposition and reduction with H2 or NH3 over RuO2
M Santiago, VA Kondratenko, EV Kondratenko, N López, ...
Applied Catalysis B: Environmental 110, 33-39, 2011
Mandates: Government of Spain
Water-hydroxide trapping in cobalt tungstate for proton exchange membrane water electrolysis
R Ram, L Xia, H Benzidi, A Guha, V Golovanova, A Garzón Manjón, ...
Science 384 (6702), 1373-1380, 2024
Mandates: European Commission, Agence Nationale de la Recherche
Molecular conformation in organic films from quantum chemistry ab initio calculations and second harmonic spectroscopy
R Macovez, N Lopez, M Mariano, M Maymo, J Martorell
The Journal of Physical Chemistry C 116 (51), 26784-26790, 2012
Mandates: Government of Spain
CN coupling on transition metal surfaces: A density functional theory study
J Gómez-Díaz, C Vargas-Fuentes, N López
The Journal of chemical physics 135 (12), 2011
Mandates: Government of Spain
Halogenbedingte Oberflächenbindung steuert die selektive Alkanfunktionalisierung zu Olefinen
G Zichittella, M Scharfe, B Puértolas, V Paunović, P Hemberger, A Bodi, ...
Angewandte Chemie 131 (18), 5935-5940, 2019
Mandates: Hungarian Academy of Sciences
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