| 2025 |
Molecular dynamics and kinetic modelling of the CO and H2 oxidation pattern of a composite MnCeOx catalyst |
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| 2025 |
Decomposition of guaiacol on a subnanometric platinum cluster: a DFT investigation followed by microkinetic analysis |
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| 2024 |
Computational investigation of isoeugenol transformations on a platinum cluster—II: Deoxygenation through hydrogenation to propylcyclohexane |
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| 2024 |
DFT study on zeolites’ intrinsic Brønsted acidity: The case of BEA |
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| 2024 |
CO-PROX on MnO2 catalysts: DFT-based microkinetic and experimental macrokinetic approaches |
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| 2023 |
DFT insights into competing mechanisms of guaiacol hydrodeoxygenation on a platinum cluster |
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| 2023 |
Butene Isomerization on Palladium Surfaces: Time-Dependent Monte Carlo Studies |
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| 2023 |
DFT Study of Pt Particle Growth inside β-Zeolite Cages |
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| 2021 |
Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features |
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| 2021 |
Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters |
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| 2020 |
DFT insights into the oxygen-assisted selective oxidation of benzyl alcohol on manganese dioxide catalysts |
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