| Shape-dependence of Pd nanocrystal carburization during acetylene hydrogenation M Crespo-Quesada, S Yoon, M Jin, A Prestianni, R Cortese, ... The Journal of Physical Chemistry C 119 (2), 1101-1107, 2015 | 42 | 2015 |
| A DFT study of IRMOF-3 catalysed Knoevenagel condensation R Cortese, D Duca Physical chemistry chemical physics 13 (35), 15995-16004, 2011 | 37 | 2011 |
| Structure sensitivity of 2-methyl-3-butyn-2-ol hydrogenation on Pd: Computational and experimental modeling A Prestianni, M Crespo-Quesada, R Cortese, F Ferrante, L Kiwi-Minsker, ... The Journal of Physical Chemistry C 118 (6), 3119-3128, 2014 | 32 | 2014 |
| In situ ATR-IR studies in aqueous phase reforming of hydroxyacetone on Pt/ZrO2 and Pt/AlO (OH) catalysts: The role of aldol condensation K Koichumanova, AKK Vikla, R Cortese, F Ferrante, K Seshan, D Duca, ... Applied Catalysis B: Environmental 232, 454-463, 2018 | 29 | 2018 |
| Boron Nitride‐supported Sub‐nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study R Schimmenti, R Cortese, D Duca, M Mavrikakis ChemCatChem 9 (9), 1610-1620, 2017 | 28 | 2017 |
| Atomic-scale design protocols toward energy, electronic, catalysis, and sensing applications F Belviso, VEP Claerbout, A Comas-Vives, NS Dalal, FR Fan, A Filippetti, ... Inorganic chemistry 58 (22), 14939-14980, 2019 | 25 | 2019 |
| Density functional theory investigation on the nucleation of homo-and heteronuclear metal clusters on defective graphene F Ferrante, A Prestianni, R Cortese, R Schimmenti, D Duca The Journal of Physical Chemistry C 120 (22), 12022-12031, 2016 | 23 | 2016 |
| Investigation of polyol adsorption on Ru, Pd, and Re using vdW density functionals R Cortese, R Schimmenti, N Armata, F Ferrante, A Prestianni, D Duca, ... The Journal of Physical Chemistry C 119 (30), 17182-17192, 2015 | 20 | 2015 |
| Propan-2-ol dehydration on H-ZSM-5 and HY zeolite: a DFT study A Prestianni, R Cortese, D Duca Reaction Kinetics, Mechanisms and Catalysis 108 (2), 565-582, 2013 | 20 | 2013 |
| Growth of sub-nanometric palladium clusters on boron nitride nanotubes: a DFT study R Schimmenti, R Cortese, F Ferrante, A Prestianni, D Duca Physical Chemistry Chemical Physics 18 (3), 1750-1757, 2016 | 19 | 2016 |
| DFT calculations on subnanometric metal catalysts: a short review on new supported materials R Cortese, R Schimmenti, A Prestianni, D Duca Theoretical Chemistry Accounts 137, 1-8, 2018 | 16 | 2018 |
| Structural and kinetic DFT characterization of materials to rationalize catalytic performance N Armata, G Baldissin, G Barone, R Cortese, V D’Anna, F Ferrante, ... Topics in Catalysis 52, 444-455, 2009 | 13 | 2009 |
| N‐Doped Carbon Networks: Alternative Materials Tracing New Routes for Activating Molecular Hydrogen R Cortese, F Ferrante, S Roggan, D Duca Chemistry–A European Journal 21 (9), 3806-3814, 2015 | 11 | 2015 |
| l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study R Cortese, D Duca, VA Sifontes Herrera, DY Murzin The Journal of Physical Chemistry C 116 (28), 14908-14916, 2012 | 11 | 2012 |
| α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube A Prestianni, R Cortese, F Ferrante, R Schimmenti, D Duca, S Hermans, ... Topics in Catalysis 59, 1178-1184, 2016 | 10 | 2016 |
| Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies R Cortese, D Campisi, A Prestianni, D Duca Molecular Catalysis 493, 110891, 2020 | 7 | 2020 |
| Graph-based analysis of ethylene glycol decomposition on a palladium cluster R Cortese, R Schimmenti, F Ferrante, A Prestianni, D Decarolis, D Duca The Journal of Physical Chemistry C 121 (25), 13606-13616, 2017 | 7 | 2017 |
| A combined theoretical and experimental approach for platinum catalyzed 1, 2-propanediol aqueous phase reforming R Schimmenti, R Cortese, L Godina, A Prestianni, F Ferrante, D Duca, ... The Journal of Physical Chemistry C 121 (27), 14636-14648, 2017 | 6 | 2017 |
| Hydrogen Arrangements on Defective Quasi-Molecular BN Fragments R Cortese, D Campisi, D Duca ACS omega 4 (12), 14849-14859, 2019 | 5 | 2019 |
| Molecular-level characterization of heterogeneous catalytic systems by algorithmic time dependent monte carlo N Armata, G Baldissin, G Barone, R Cortese, V D’Anna, F Ferrante, ... Topics in Catalysis 52, 431-443, 2009 | 4 | 2009 |
