Paola D'Angelo

Pubblicazioni

Titolo Pubblicato in Anno
Structure and atomic correlations in molecular systems probed by XAS reverse Monte Carlo refinement THE JOURNAL OF CHEMICAL PHYSICS 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
Lutetium(III) aqua ion: on the dynamical structure of the heaviest lanthanoid hydration complex JOURNAL OF CHEMICAL PHYSICS ONLINE 2016
Hydrated and solvated Tin(II) ions in solution and the solid state, and a coordination chemistry overview of the d10s2 metal ions CHEMISTRY-A EUROPEAN JOURNAL 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
Hidden hydration structure of halide ions: an insight into the importance of lone pairs JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL 2015
Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL 2015

© Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma