MORPURGO, Simone
MORPURGO, Simone
DIPARTIMENTO DI CHIMICA
A computational study on N2 adsorption in Cu-ZSM-5
2007 Morpurgo, Simone; Moretti, Giuliano; Bossa, Mario
A computational study on the mechanism of NO decomposition catalyzed by Cu-ZSM-5: A comparison between single and dimeric Cu+ active sites
2012 Morpurgo, Simone; Moretti, Giuliano; Bossa, Mario
A DFT study on Cu(I) coordination in Cu-ZSM-5: effects of the functional choice and tuning of the ONIOM approach
2015 Morpurgo, Simone
A DFT study on Cu-ZSM-5 as a catalyst for NO decomposition: Possible activity of a Cu(I) pair located at the T3 tetrahedral sites
2024 De Rosa, Michele; Campa, Maria Cristina; Pietrogiacomi, Daniela; Morpurgo, Simone
A DFT study on the mechanism of NO and N2O decomposition catalysed by Cu(I) pairs in Cu-ZSM-5: Revisited reactivity at the M6 ring
2022 De Rosa, Michele; Morpurgo, Simone
A DFT study on the mechanism of NO decomposition catalyzed by Cu(I) pairs in Cu-ZSM-5
2010 Morpurgo, Simone; Moretti, Giuliano; M., Bossa
A DFT study on the mechanism of NO decomposition catalyzed by short-distance Cu(I) pairs in Cu-ZSM-5
2017 Morpurgo, Simone
A theoretical study of hydrogen bonding, proton transfer and kinetic isotope effects in the dimers of 2-tetrahydropyranol and in the 2-tetrahydropyranol-H2O adducts
2001 Morpurgo, Simone; Bossa, Mario; Morpurgo, G. O.
A theoretical study on proton transfer in the mutarotation of sugars
2000 Morpurgo, Simone; Meziane, Brahimi; Bossa, Mario; Giorgio O., Morpurgo
A theoretical study on the sugars' mutarotation: the epimerization of 2-tetrahydropyranol catalysed by formamidine, benzamidine and by the 2-aminopyridine/2-iminopyridine tautomeric couple
2005 Morpurgo, Simone; Grandi, A.; Zazza, C.; Bossa, Mario
Ab initio Study of Intramolecular Proton Transfer Reactions in Cytosine
1997 Morpurgo, Simone; Bossa, Mario; Morpurgo, G. O.
Basis set effects on Cu(I) coordination in Cu-ZSM-5: a computational study
2012 Morpurgo, Simone; Moretti, Giuliano; Bossa, Mario
Cathodic electrografting of versatile ligands on Si(100) as a low-impact approach for establishing a Si-C bond: A surface-coordination study of substituted 2,2 '-bipyridines with Cu I ions
2007 Aurora, A; Cattaruzza, F; Coluzza, C; DELLA VOLPE, C; DI SANTO, G; Flamini, A; Mangano, C; Morpurgo, Simone; Pallavicini, P; Zanoni, Robertino
Characterization by x-ray absorption, x-ray powder diffraction, and magnetic susceptibility of Cu-Zn-Co-Al-containing hydroxycarbonates, oxycarbonates, oxides, and their products of reduction
1996 Porta, Piero; Morpurgo, Simone; Pettiti, Ida
Copper-Zinc-Cobalt-Aluminium-Chromium Hydroxycarbontes and Oxides
1996 Morpurgo, Simone; LO JACONO, M.; Porta, P.
Copper-Zinc-Cobalt-Chromium Hydroxycarbontes and Oxides
1995 Morpurgo, Simone; LO JACONO, M; Porta, P.
Critical Test of PM3-calculated Proton-Transfer Activation Energies: a Comparison with Ab initio and AM1 Calculations
1998 Morpurgo, Simone; Bossa, Mario; Morpurgo, G. O.
Cu-Zn Manganites as Oxidic Catalysts for the NOx Abatement
1997 Fierro, G.; Inversi, M.; LO JACONO, M.; Morpurgo, Simone; Pettiti, Ida
Cu-Zn-Co-Al-Cr-containing Hydrotalcite-type Anionic Clays
1995 Porta, P; Morpurgo, Simone
Cu-ZSM-5 catalysts for the decomposition of NO: new insights on the structure of the active site
2004 Moretti, Giuliano; Faticanti, M.; Ferraris, G.; Fierro, G.; Lojacono, Mariano; Morpurgo, Simone