| Titolo |
Pubblicato in |
Anno |
| Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: A molecular dynamics simulation and EXAFS investigation |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2019 |
| Unraveling the hydration properties of the Ba2+ aqua ion: the interplay of quantum mechanics, molecular dynamics, and EXAFS spectroscopy |
INORGANIC CHEMISTRY |
2019 |
| On the coordination of Zn2+ion in Tf2N-based ionic liquids: Structural and dynamic properties depending on the nature of the organic cation |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2018 |
| Combined distribution functions: a powerful tool to identify cation coordination geometries in liquid systems |
CHEMICAL PHYSICS LETTERS |
2018 |
| Influence of counterions on the hydration structure of Lanthanide ions in dilute aqueous solutions |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2018 |
| Ce3+and La3+ions in ethylammonium nitrate: A XANES and molecular dynamics investigation |
CHEMICAL PHYSICS LETTERS |
2018 |
| Following a chemical reaction on the millisecond time scale by simultaneous X-ray and UV/Vis spectroscopy |
THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS |
2017 |
| On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii |
THE JOURNAL OF CHEMICAL PHYSICS |
2017 |
| Structure of water in Zn2+ aqueous solutions from ambient conditions up to the gigapascal pressure range: A XANES and molecular dynamics study |
INORGANIC CHEMISTRY |
2017 |
| How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study |
CHEMISTRY-A EUROPEAN JOURNAL |
2017 |
| Development of Lennard-Jones and Buckingham Potentials for Lanthanoid Ions in Water |
INORGANIC CHEMISTRY |
2017 |
| XANES reveals the flexible nature of hydrated Strontium in aqueous solution |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2016 |
| Unraveling the Sc3+ hydration geometry: the strange case of the far-coordinated water molecule |
INORGANIC CHEMISTRY |
2016 |
| Unveiling the complex network of interactions in Ionic Liquids: A combined EXAFS and Molecular Dynamics approach |
JOURNAL OF PHYSICS. CONFERENCE SERIES |
2016 |
| Structural properties of geminal dicationic ionic liquid/water mixtures: a theoretical and experimental insight |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2016 |
| Combining EXAFS spectroscopy and molecular dynamics simulations to understand the structural and dynamic properties of an imidazolium iodide ionic liquid |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2015 |
| Local order and long range correlations in imidazolium halide ionic liquids: a combined molecular dynamics and XAS study |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2015 |
| Solvation structure of Zn2+ and Cu2+ ions in acetonitrile: a combined EXAFS and XANES study |
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL |
2015 |
| The non-octarepeat copper binding site of the prion protein is a key regulator of prion conversion |
SCIENTIFIC REPORTS |
2015 |
| Unraveling the perturbation induced by Zn2+ and Hg2+ ions on the hydrogen bond patterns of liquid methanol |
CHEMICAL PHYSICS LETTERS |
2015 |
