| Dynamic charge and oxidation state of Pt/CeO 2 single-atom catalysts N Daelman, M Capdevila-Cortada, N López Nature Materials 18 (11), 1215–1221, 2019 | 318 | 2019 |
| Mechanism and microkinetics of methanol synthesis via CO2 hydrogenation on indium oxide MS Frei, M Capdevila-Cortada, R García-Muelas, C Mondelli, N López, ... Journal of Catalysis 361, 313-321, 2018 | 281 | 2018 |
| Performance of DFT+U Approaches in the Study of Catalytic Materials M Capdevila-Cortada, Z Łodziana, N López ACS Catalysis 6 (12), 8370-8379, 2016 | 169 | 2016 |
| Reactivity descriptors for ceria in catalysis M Capdevila-Cortada, G Vilé, D Teschner, J Pérez-Ramírez, N López Applied Catalysis B: Environmental 197, 299-312, 2016 | 141 | 2016 |
| Semihydrogenation of Acetylene on Indium Oxide: Proposed Single‐Ensemble Catalysis D Albani, M Capdevila‐Cortada, G Vilé, S Mitchell, O Martin, N López, ... Angewandte Chemie 129 (36), 10895-10900, 2017 | 103 | 2017 |
| Unraveling the structure sensitivity in methanol conversion on CeO2: A DFT+ U study M Capdevila-Cortada, M García-Melchor, N López Journal of Catalysis 327, 58-64, 2015 | 102 | 2015 |
| Entropic contributions enhance polarity compensation for CeO 2 (100) surfaces M Capdevila-Cortada, N López Nature Materials 16 (3), 328-334, 2017 | 94 | 2017 |
| Surface refaceting mechanism on cubic ceria C Yang, M Capdevila-Cortada, C Dong, Y Zhou, J Wang, X Yu, A Nefedov, ... The journal of physical chemistry letters 11 (18), 7925-7931, 2020 | 42 | 2020 |
| The nature of the C–Cl⋯ Cl–C intermolecular interactions found in molecular crystals: a general theoretical-database study covering the 2.75–4.0 Å range M Capdevila-Cortada, J Castelló, JJ Novoa CrystEngComm 16 (35), 8232-8242, 2014 | 38 | 2014 |
| Assessing the performance of CASPT2 and DFT methods for the description of long, multicenter bonding in dimers between radical ions M Capdevila-Cortada, J Ribas-Arino, JJ Novoa Journal of Chemical Theory and Computation 10 (2), 650-658, 2014 | 36 | 2014 |
| Descriptor Analysis in Methanol Conversion on Doped CeO2(111): Guidelines for Selectivity Tuning M Capdevila-Cortada, N Lopez ACS Catalysis 5 (11), 6473-6480, 2015 | 35 | 2015 |
| The nature of the C–Br⋯ Br–C intermolecular interactions found in molecular crystals: a general theoretical-database study M Capdevila-Cortada, JJ Novoa CrystEngComm 17 (17), 3354-3365, 2015 | 35 | 2015 |
| Keys for the Existence of Stable Dimers of Bis-tetrathiafulvalene (bis-TTF)-Functionalized Molecular Clips Presenting [TTF]•+···[TTF]•+ Long, Multicenter Bonds at … M Fumanal, M Capdevila-Cortada, JS Miller, JJ Novoa Journal of the American Chemical Society 135 (37), 13814-13826, 2013 | 31 | 2013 |
| Quasi-degenerate states and their dynamics in oxygen deficient reducible metal oxides N Daelman, FS Hegner, M Rellán-Piñeiro, M Capdevila-Cortada, ... The Journal of Chemical Physics 152 (5), 2020 | 30 | 2020 |
| Mechanism of ethylene oxychlorination on ceria M Scharfe, M Capdevila-Cortada, VA Kondratenko, EV Kondratenko, ... ACS Catalysis 8 (4), 2651-2663, 2018 | 30 | 2018 |
| The Nature of the [TTF].+⋅⋅⋅[TTF].+ Interactions in the [TTF]22+ Dimers Embedded in Charged [3]Catenanes: Room‐Temperature Multicenter Long Bonds M Capdevila‐Cortada, JJ Novoa Chemistry–A European Journal 18 (17), 5335-5344, 2012 | 30 | 2012 |
| Substituent and counterion effects on the formation of π-dimer dications of end-capped heptathienoacenes CC Ferrón, MCR Delgado, V Hernández, JTL Navarrete, B Vercelli, ... Chemical Communications 47 (47), 12622-12624, 2011 | 18 | 2011 |
| Unusually Long, Multicenter, Cationδ+⋅⋅⋅Anionδ− Bonding Observed for Several Polymorphs of [TTF][TCNE] M Capdevila‐Cortada, JJ Novoa, JD Bell, CE Moore, AL Rheingold, ... Chemistry–A European Journal 17 (34), 9326-9341, 2011 | 17 | 2011 |
| Orientational Preference of Long, Multicenter Bonds in Radical Anion Dimers: A Case Study of π‐[TCNB]22− and π‐[TCNP]22− M Capdevila‐Cortada, JS Miller, JJ Novoa Chemistry–A European Journal 21 (17), 6420-6432, 2015 | 16 | 2015 |
| Mechanism of ethylene oxychlorination over ruthenium oxide MD Higham, M Scharfe, M Capdevila-Cortada, J Pérez-Ramírez, N López Journal of Catalysis 353, 171-180, 2017 | 15 | 2017 |
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