24 results on '"Duca, Dario"'
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2. Computational investigation of isoeugenol transformations on a platinum cluster—II: Deoxygenation through hydrogenation to propylcyclohexane
3. DFT study on zeolites’ intrinsic Brønsted acidity: The case of BEA
4. A computational and experimental investigation of the anchoring of organosilanes on the halloysite silicic surface
5. A computational and experimental investigation of halloysite silicic surface modifications after alkaline treatment
6. Computational investigation of isoeugenol transformations on a platinum cluster – I: Direct deoxygenation to propylcyclohexane
7. Empathes: A general code for nudged elastic band transition states search
8. DFT and kinetic evidences of the preferential CO oxidation pattern of manganese dioxide catalysts in hydrogen stream (PROX)
9. Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features
10. DFT insights into the oxygen-assisted selective oxidation of benzyl alcohol on manganese dioxide catalysts
11. Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies
12. In situ ATR-IR studies in aqueous phase reforming of hydroxyacetone on Pt/ZrO2 and Pt/AlO(OH) catalysts: The role of aldol condensation
13. Hydrogenolysis of hydroxymatairesinol on Y derived catalysts: A computational study
14. Hydro-dimerization of [formula omitted]: model reaction to capture details on catalytic mechanisms
15. New time-dependent Monte Carlo algorithm designed to model three-phase batch reactor processes: applications on 2,4-dinitro-toluene hydrogenation on Pd/C catalysts
16. Ab initio study of structure and energetics of species involved in the 2,4-dinitro-toluene hydrogenation on Pd catalysts
17. N-Diphenylmethyl-2-propenamide: theoretical study of the structure and interaction with a DNA model system
18. Theoretical evaluation of structures and energetics involved in the hydrogenation of hydrocarbons on palladium surfaces
19. Theoretical calculation of the vibrational spectra of cis-cis-cyclooctadienes in the vapour phase
20. Corrigendum to “Hydro-dimerization of PtCl 2(C 2H 4) 2: Model reaction to capture details on catalytic mechanisms” [J. Mol. Catal. A: Chem. 227 (2005) 173–181]
21. Erratum to “New time-dependent Monte Carlo algorithm designed to model three-phase batch reactor processes: applications on 2,4-dinitro-toluene hydrogenation on Pd/C catalysts” [Chem. Eng. J. 91 (2003) 133–142]
22. Analysis by size exclusion chromatography (SEC) of catalytic materials: The fractal properties and the pore size distribution of pumice
23. Ab initio evaluation of the equilibria between isomeric cyclooctadienes
24. Disclosing the emissive surface traps in green-emitting carbon nanodots.
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