| Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying π⋯ π interactions D Josa, J Rodríguez-Otero, EM Cabaleiro-Lago, M Rellán-Piñeiro Chemical Physics Letters 557, 170-175, 2013 | 85 | 2013 |
| Shape control in concave metal nanoparticles by etching Q Li, M Rellán-Piñeiro, N Almora-Barrios, M Garcia-Ratés, IN Remediakis, ... Nanoscale 9 (35), 13089-13094, 2017 | 70 | 2017 |
| One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods M Rellan-Pineiro, N Lopez The Journal of Physical Chemistry Letters 9 (10), 2568-2573, 2018 | 54 | 2018 |
| 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 | 37 | 2015 |
| 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 | 31 | 2020 |
| A Coupled Density Functional Theory–Microkinetic Modeling for the Hydrodeoxygenation of Glycerol to Propylene on MoO3 M Rellán-Piñeiro, N López ACS sustainable chemistry & engineering 6 (12), 16169-16178, 2018 | 21 | 2018 |
| A mechanism for the selective epimerization of the glucose mannose pair by Mo-based compounds: towards catalyst optimization M Rellán-Piñeiro, M Garcia-Ratés, N López Green chemistry 19 (24), 5932-5939, 2017 | 19 | 2017 |
| Mechanistic insights into the ceria-catalyzed synthesis of carbamates as polyurethane precursors B Puértolas, M Rellán-Piñeiro, JL Núñez-Rico, AP Amrute, A Vidal-Ferran, ... ACS Catalysis 9 (9), 7708-7720, 2019 | 18 | 2019 |
| DFT and MP2 study of the interaction between corannulene and alkali cations M Rellán-Piñeiro, J Rodríguez-Otero, EM Cabaleiro-Lago, D Josa Journal of molecular modeling 19, 2049-2055, 2013 | 12 | 2013 |
| Computational mechanism of methyl levulinate conversion to γ-valerolactone on UiO-66 metal organic frameworks MA Ortuño, M Rellán-Piñeiro, R Luque ACS Sustainable Chemistry & Engineering 10 (11), 3567-3573, 2022 | 8 | 2022 |
| Activity differences of rutile and anatase TiO2 polymorphs in catalytic HBr Oxidation V Paunović, M Rellán-Piñeiro, N López, J Pérez-Ramírez Catalysis Today 369, 221-226, 2021 | 7 | 2021 |
| Enhanced Performance of Zirconium‐Doped Ceria Catalysts for the Methoxycarbonylation of Anilines JL Núñez‐Rico, M Rellán‐Piñeiro, B Puértolas, A Vidal‐Ferran, N López, ... Chemistry–A European Journal 26 (68), 16129-16137, 2020 | 6 | 2020 |
| Selective furfural hydrogenolysis towards 2-methylfuran by controlled poisoning of Cu–Co catalysts with chlorine A Barranca, I Agirrezabal-Tellería, M Rellán-Piñeiro, MA Ortuño, ... Reaction Chemistry & Engineering 8 (3), 687-698, 2023 | 5 | 2023 |
| Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass R García‐Muelas, M Rellán‐Piñeiro, Q Li, N López ChemCatChem 11 (1), 357-367, 2019 | 2 | 2019 |
| Computational Mechanism of Methyl Levulinate Conversion to γ-Valerolactone on UiO-66 Metal Organic Frameworks MÁ Ortuño Maqueda, M Rellán Piñeiro, R Luque ACS Publications, 2022 | | 2022 |
| Computational Mechanism of Methyl Levulinate Conversion to à Žà ³-Valerolactone on UiO-66 Metal Organic Frameworks MA Ortunõ, M Rellán-Piñeiro, R Luque ACS Sustainable Chemistry and Engineering, 2021 | | 2021 |
| Ab Initio and Dft Study of Interaction Between Corannulene and Alkali Cations M Rellán Piñeiro, J Rodríguez Otero, EM Cabaleiro Lago, D Josa MDPI, 2011 | | 2011 |
| Promotion of hydroxy bond hydrogenolysis versus aromatic ring hydrogenation by selective poisoning with chlorine of heterogeneous Cu-Co catalysts A Barranca, I Agirrezabal-Tellería, PL Arias, M Rellán-Piñeiro, MA Ortuño, ... IUPAC International Conference on Green Chemistry (9th ICGC), which is …, 0 | | |
