IRRERA, SIMONA
IRRERA, SIMONA
DIPARTIMENTO DI CHIMICA
"Molecular modelling of 5-formyluracil crystal tautomers by Carr-Parrinello and Force Field methods"
2009 Irrera, Simona; Portalone, Gustavo
"Studio teorico della stabilità relativa dei cristalli di s-cis e s-trans 5-formiluracile"
2008 Irrera, Simona; Portalone, Gustavo
4-Methoxybenzamidinium acetate
2012 Irrera, Simona; Portalone, Gustavo
4-Methoxybenzamidinium bromide
2013 Irrera, Simona; Portalone, Gustavo
4-Methoxybenzamidinium chloride monohydrate
2012 Irrera, Simona; Portalone, Gustavo
4-Methoxybenzamidinium hydrogen oxalate monohydrate
2012 Irrera, Simona; Portalone, Gustavo
4-Methoxybenzamidinium hydrogen sulfate
2012 Irrera, Simona; Portalone, Gustavo
4-Methoxybenzamidinium nitrate
2012 Irrera, Simona; Portalone, Gustavo
Ab initio molecular dynamics of 5-formyluracil polymorphs
2011 Irrera, Simona; M., Habgood; Portalone, Gustavo
Chemisorption of uracil on gold surfaces via density functional theory
2013 Irrera, Simona; Portalone, Gustavo; Nora H., De Leeuw
Exploring halogen bonding in 5-halonucleobases and in their cocrystals
2014 Portalone, Gustavo; Irrera, Simona; Kari, Rissanen
First X-ray diffraction and quantum chemical study of proton-acceptor and proton-donor forms of 5-carboxylcytosine, the last-discovered nucleobase
2013 Irrera, Simona; Portalone, Gustavo
Halogen Bonding in 5-Halonucleobases and in their Janus-like cocrystals
2014 Portalone, Gustavo; Irrera, Simona; K., Rissanen
Polymorph prediction and molecular modeling of 5-formyluracil
2011 Irrera, Simona; Habgood, Matthew; Portalone, Gustavo
Self-assembling of calcium salt of the new DNA base 5-carboxylcytosine
2017 Irrera, Simona; Ruiz Hernandez, Sergio E.; Reggente, Melania; Passeri, Daniele; Natali, Marco; Gala, Fabrizio; Zollo, Giuseppe; Rossi, Marco; Portalone, Gustavo
Self-assembly of the newly discovered DNA base 5-carboxylcytosine on graphite
2014 Irrera, Simona; Passeri, Daniele; Reggente, M.; Rossi, M.; Portalone, Gustavo
Structural and electronic properties of chiral molecules on surfaces
2006 Irrera, Simona
Sublimation enthalpies of 5-haloderivatives of 1,3-dimethyluracil
2015 Brunetti, Bruno; Irrera, Simona; Portalone, Gustavo
Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine
2012 Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo
Supramolecular structure of unnatural nucleobases: Revised structure of (2:1) 6-methylisocytosinium dihydrogen monophosphate adduct
2011 Portalone, Gustavo; Irrera, Simona