| Titolo |
Pubblicato in |
Anno |
| Structural features of cholinium based protic ionic liquids through molecular dynamics |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2019 |
| On the formation of propylene oxide from propylene in space: gas-phase reactions |
THEORETICAL CHEMISTRY ACCOUNTS |
2019 |
| Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation |
JOURNAL OF MOLECULAR LIQUIDS |
2018 |
| Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2018 |
| An experimental and theoretical investigation of XPS and NEXAFS of 5-halouracils |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2018 |
| Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation |
ACS OMEGA |
2018 |
| Adenosine monophosphate recognition by zinc-salophen complexes: IRMPD spectroscopy and quantum modeling study |
JOURNAL OF MOLECULAR SPECTROSCOPY |
2017 |
| Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: New insights from theoretical calculations |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2017 |
| Structural and energetic properties of La3+ in water/DMSO mixtures |
JOURNAL OF MOLECULAR STRUCTURE |
2017 |
| Experimental and computational Investigation of salophen-Zn gas phase complexes with cations: a source of possible interference in anionic recognition |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2017 |
| Solvation properties of the actinide Ion Th(IV) in DMSO and DMSO:water mixtures through polarizable molecular dynamics |
INORGANIC CHEMISTRY |
2017 |
| Structure, stability, and electronic properties of dimethyl sulfoxide and dimethyl formammide clusters containing Th(4+) |
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY |
2016 |
| Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases |
THE JOURNAL OF CHEMICAL PHYSICS |
2016 |
| Conformational change in the mechanism of inclusion of Ketoprofen in β-Cyclodextrin: NMR spectroscopy, ab initio calculations, molecular dynamics simulations, and photoreactivity |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2016 |
| Amino-acids oxidation: a combined study of cysteine oxo forms by IRMPD spectroscopy and simulations |
CHEMISTRY-A EUROPEAN JOURNAL |
2016 |
| Measuring oxidized DNA and RNA precursors by micro-Raman spectroscopy |
XIV FISV CONGRESS - book of abstracts |
2016 |
| Interaction and dynamics of ionic liquids based on choline and amino acid anions |
THE JOURNAL OF CHEMICAL PHYSICS |
2015 |
| Lanthanum(III) and Lutetium(III) in nitrate-based ionic liquids: a theoretical study of their coordination shell |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2015 |
| Solvent structure around lanthanoid(III) ions in liquid DMSO as revealed by polarizable molecular dynamics simulations |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2015 |
| Prediction of Infrared Spectra of Ionic Liquids with ab initio Molecular Dynamics |
Book of Abstract - III CONGRESSO NAZIONALE DELLA DIVISIONE DI CHIMICA TEORICA E COMPUTAZIONALE DELLA SOCIETÀ CHIMICA ITALIANA |
2015 |
