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X-ray Structure and AM1 Studies of the Proton-Transfer Adduct between 2,5-Dihydroxy-p-quinone and 4-(N,N-Dimethylamino)pyridine 1996 Bossa, Mario; Colapietro, Marcello; Morpurgo, Giorgio Oscar; Morpurgo, Simone; Portalone, Gustavo
Ab initio Study of Intramolecular Proton Transfer Reactions in Cytosine 1997 Morpurgo, Simone; Bossa, Mario; Morpurgo, G. O.
Modulation of the proton transfer equilibrium of the adducts between 2-hydroxy-p-quinones and 4-(N,N-dimethyl)aminopyridine:a semiempirical MO study 1998 Morpurgo, Simone; Brahimi, M.; Bossa, Mario; Morpurgo, G. O.
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.
Solvent-mediated proton transfer reactions in cytosine: an ab initio study 1999 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 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.
The use of ab initio and DFT calculations in the interpretation of ultraviolet photoelectron spectra: the rotational isomerism of anisole and thioanisole as a case study 2002 Bossa, Mario; Morpurgo, Simone; Stranges, Stefano
The epimerisation of 2-tetrahydropyranol catalysed by the tautomeric couples 2-pyridone/2-hydroxypyridine and formamide/formamidic acid as a model for the sugar's mutarotation: a theoretical study 2003 Morpurgo, Simone; Bossa, Mario
Nuova Secondaria 2005 Bossa, Mario
Nuova Secondaria 2005 Bossa, Mario
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
A computational study on N2 adsorption in Cu-ZSM-5 2007 Morpurgo, Simone; Moretti, Giuliano; Bossa, Mario
Studio DFT sul meccanismo della decomposizione di NO su Cu-ZSM-5 2008 Morpurgo, Simone; Bossa, Mario; Moretti, Giuliano
Nuova Secondaria 2009 Bossa, Mario
Basis set effects on Cu(I) coordination in Cu-ZSM-5: a computational study 2012 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
Mostrati risultati da 1 a 17 di 17
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