| 1 |
Interaction of atomic hydrogen with anthracene and polyacene from density functional theory
Ferullo RM, Castellani NJ, Belelli PG
Chemical Physics Letters, 648, 25, 2016 |
| 2 |
Isocyanate (NCO) evidence in the CO plus NO reaction over palladium
Garda GR, Castellani NJ
Applied Catalysis A: General, 494, 48, 2015 |
| 3 |
Adsorption of 2-propanol on MgO surface: A combined experimental and theoretical study
Fuente SA, Ferretti CA, Domancich NF, Diez VK, Apesteguia CR, Di Cosimo JI, Ferullo RM, Castellani NJ
Applied Surface Science, 327, 268, 2015 |
| 4 |
A theoretical view of 1,3-butadiene selective hydrogenation toward cis-2-butene on Pd-Ni layered catalyst
Gomez G, Belelli PG, Cabeza GF, Castellani NJ
Applied Surface Science, 353, 820, 2015 |
| 5 |
Evaluating Pd-Ni layered catalysts for selective hydrogenation of 1,3-butadiene: A theoretical perspective
Gomez G, Belelli PG, Cabeza GF, Castellani NJ
Journal of Molecular Catalysis A-Chemical, 394, 151, 2014 |
| 6 |
LDA plus U and GGA plus U studies of Al-rich and bulk goethite (alpha-FeOOH)
Fuente SA, Belelli PG, Castellani NJ, Avena M
Materials Chemistry and Physics, 137(3), 1012, 2013 |
| 7 |
On the performance of van der Waals corrected-density functional theory in describing the atomic hydrogen physisorption on graphite
Ferullo RM, Domancich NF, Castellani NJ
Chemical Physics Letters, 500(4-6), 283, 2010 |
| 8 |
Formation of Ag-2, Au-2 and AgAu particles on MgO(100): DFT study on the role of support-induced charge transfer in metal-metal interactions
Fuente SA, Belelli PG, Branda MM, Ferullo RM, Castellani NJ
Applied Surface Science, 255(16), 7380, 2009 |
| 9 |
Pd-gamma Al2O3 applied to triglycerides hydrogenation with supercritical propane Experimental and theoretical catalysts characterization
Piqueras CM, Costilla IO, Belelli PG, Castellani NJ, Damiani DE
Applied Catalysis A: General, 347(1), 1, 2008 |
| 10 |
Theoretical modeling of photocatalytic active species on illuminated TiO2
Belelli PG, Ferullo RM, Branda MM, Castellani NJ
Applied Surface Science, 254(1), 32, 2007 |
