Sfoglia per Autore
HPS-based catalysts: a computational study
2012-01-01 Armata, N; Cortese, R; Ferrante, F; Lo Celso, F; Prestianni, A; Duca, D
Propan-2-ol dehydration on H-ZSM-5 and H-Y zeolite: a DFT study
2012-01-01 Prestianni, A; Cortese, R; Duca, D
COMPUTATIONAL APPROACHES EMPLOYED IN THE SusFuelCat PROJECT
2013-01-01 Ferrante, F; Armata, N; Cortese, R; Lo Celso, F; Prestianni, A; Duca, D
Selective hydrogenation of 2-methyl-butyn-2-ol on Pd catalysts
2013-01-01 Cortese, R; Ferrante, F; Prestianni, A; Duca, D
Hydrogenation of but-2-yne-1,4-diol on a palladium cluster: a computational study
2013-01-01 Duca, D; Ferrante, F; Prestianni, A
Oxygen-Assisted Hydroxymatairesinol Dehydrogenation: A Selective Secondary-Alcohol Oxidation over a Gold Catalyst
2013-01-01 Prestianni, A; Ferrante, F; Simakova, OA; Duca, D; Murzin, DY
Density Functional Theory Investigation on the Nucleation and Growth of Small Palladium Clusters on a Hyper-Cross-Linked Polystyrene Matrix
2014-01-01 Prestianni, A.; Ferrante, F.; Sulman, E. M.; Duca, D.
Structure Sensitivity of 2‐Methyl--butyn-2-ol Hydrogenation on Pd: Computational and Experimental Modeling
2014-01-01 Prestianni, A; Crespo-Quesada, M; Cortese, R; Ferrante, F; Kiwi-Minsker, L; Duca, D
Computational Investigation of Alkynols and alkyndiols Hydrogenation on a Palladium Cluster
2014-01-01 Ferrante, F; Prestianni, A;Duca, D
Investigation of Polyol Adsorption on Ru, Pd, and Re Using vdW Density Functionals
2015-01-01 Cortese, R.; Schimmenti, R.; Armata, N.; Ferrante, F.; Prestianni, A.; Duca, D.; Murzin, D.
Computational Investigation of Palladium Supported Boron Nitride Nanotube Catalysts
2015-01-01 Schimmenti, R; Cortese, R; Ferrante, F; Prestianni, A; Duca, D
Shape-Dependence of Pd Nanocrystal Carburization during Acetylene Hydrogenation
2015-01-01 Crespo-Quesada, M; Yoon, S; Jin, M; Prestianni, A; Cortese, R; Càrdenas-Lizana, F; Duca, D; Weidenkaff, A; Kiwi-Minsker, L
Growth of Palladium Clusters on a Boron Nitride Nanotube Support
2015-07-26 Schimmenti, R.; Cortese, R.; Ferrante, F.; Prestianni, A.; Duca, D.
NAOs and vdW‐DF for simulating co‐adsorption of water and polyols on metal surfaces
2015-07-26 Cortese, R.; Schimmenti, R.; Ferrante, F.; Prestianni, A.; Duca, D.
Palladium clusters on BNNT as catalysts for biomass conversion
2015-09-28 Schimmenti, R.; Cortese, R.; Ferrante, F.; Prestianni, A.; Duca, D.
DFT investigation of polyalcohols reforming on palladium cluster
2015-09-28 Schimmenti, R.; Cortese, R.; Ferrante, F.; Prestianni, A.; Duca, D.
Theoretical Investigation of Aqueous Phase Reforming of 1,2 Propanediol over a Pt catalyst
2015-09-28 Schimmenti, R.; Cortese, R.; Ferrante, F.; Prestianni, A.; Duca, D.
Computational study of metal-free N-doped carbon networks as hydrogenation catalysts
2015-09-28 Schimmenti, R.; Cortese, R.; Ferrante, F.; Prestianni, A.; Duca, D.
α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube
2016-01-01 Prestianni, A.; Cortese, R.; Ferrante, F.; Schimmenti, R.; Duca, D.; Hermans, S.; Murzin, D.
Density Functional Theory Investigation on the Nucleation of Homo- and Heteronuclear Metal Clusters on Defective Graphene
2016-01-01 Ferrante, F.; Prestianni, A.; Cortese, R.; Schimmenti, R.; Duca, D.
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