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 | 16 | 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 | 12 | 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 | 5 | 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 | 5 | 2021 |
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 | 1 | 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 | 1 | 2023 |
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 | | 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 | | 2024 |
COMPUTATIONAL STUDIES OF MODIFIED H-BETA ZEOLITES FOR HYDROCARBON CATALYTIC CONVERSION L Gueci Università degli Studi di Palermo, 2024 | | 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 Available at SSRN 4757055, 0 | | |