| DFT insights into the oxygen-assisted selective oxidation of benzyl alcohol on manganese dioxide catalysts L Gueci, F Ferrante, A Prestianni, R Di Chio, AF Patti, D Duca, F Arena Inorganica Chimica Acta 511, 119812, 2020 | 23 | 2020 |
| Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features L Gueci, F Ferrante, A Prestianni, F Arena, D Duca Molecular Catalysis 513, 111735, 2021 | 20 | 2021 |
| DFT insights into competing mechanisms of guaiacol hydrodeoxygenation on a platinum cluster C Nania, M Bertini, L Gueci, F Ferrante, D Duca Physical Chemistry Chemical Physics 25 (15), 10460-10471, 2023 | 17 | 2023 |
| Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters L Gueci, F Ferrante, A Prestianni, F Arena, D Duca Data in Brief 38, 107369, 2021 | 12 | 2021 |
| CO-PROX on MnO2 catalysts: DFT-based microkinetic and experimental macrokinetic approaches L Gueci, F Arena, S Todaro, G Bonura, A Cajumi, M Bertini, F Ferrante, ... Catalysis Today 434, 114698, 2024 | 7 | 2024 |
| Computational investigation of isoeugenol transformations on a platinum cluster—II: Deoxygenation through hydrogenation to propylcyclohexane C Nania, F Ferrante, M Bertini, L Gueci, D Duca Molecular Catalysis 564, 114298, 2024 | 4 | 2024 |
| DFT study on zeolites’ intrinsic Brønsted acidity: the case of BEA L Gueci, F Ferrante, M Bertini, C Nania, D Duca Computational Materials Science 232, 112687, 2024 | 3 | 2024 |
| Butene isomerization on palladium surfaces: Time-dependent monte carlo studies F Ferrante, M Bertini, L Gueci, D Duca Industrial & Engineering Chemistry Research 62 (48), 20608-20621, 2023 | 3 | 2023 |
| DFT Study of Pt Particle Growth inside β-Zeolite Cages L Gueci, M Bertini, C Nania, F Ferrante, D Duca The Journal of Physical Chemistry C 127 (30), 14765-14775, 2023 | 3 | 2023 |
| Molecular dynamics and kinetic modelling of the CO and H2 oxidation pattern of a composite MnCeOx catalyst F Arena, F Ferrante, A Cajumi, C Cannilla, S Todaro, M Bertini, L Gueci, ... Chemical Engineering Journal 505, 158677, 2025 | 2 | 2025 |
| Alternative Algebraic Perspectives on CO/H2 PROX over MnO2 Composite Catalysts M Bertini, F Ferrante, L Gueci, A Prestianni, D Duca, F Arena, DY Murzin Journal of Chemical Information and Modeling 65 (10), 4952-4967, 2025 | 1 | 2025 |
| Decomposition of guaiacol on a subnanometric platinum cluster: a DFT investigation followed by microkinetic analysis C Nania, F Ferrante, M Bertini, L Gueci, D Duca Physical Chemistry Chemical Physics 27 (7), 3916-3929, 2025 | 1 | 2025 |
| Selecting the Most Suitable DFT-XC Functional for Consistent Modeling of Subnanometric Gold Clusters in Catalytic Systems L Guercio, F Ferrante, M Bertini, L Gueci, L Lisuzzo, D Duca Catalysts 15 (11), 1083, 2025 | | 2025 |
| COMPUTATIONAL STUDIES OF MODIFIED H-BETA ZEOLITES FOR HYDROCARBON CATALYTIC CONVERSION L Gueci Università degli Studi di Palermo, 2024 | | 2024 |
