Rafael R Pappalardo
10PUBLICATIONS
8CO-AUTHORS
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Publications (10)
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|Jun 16, 2025
U4+ Speciation in Acidic Aqueous Solution: Insights from UV-Vis, EXAFS, XANES, and Quantum-Statistical Simulations.Gema Raposo-Hernández, Rafael R Pappalardo, Florent Réal
|Oct 10, 2024
Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce(H2O)n3+ using statistical methods and quantum chemistry calculations.Gema Raposo-Hernández, Rafael R Pappalardo, Florent Réal
|May 15, 2024
Acetonitrile real gas phase behavior from quasi-ideal gas to nanodroplets: A microscopical view.José M Martínez, Jorge Hernández-Cobos, Rafael R Pappalardo
|Feb 15, 2023
Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics.Gema Raposo-Hernández, Enrique Sánchez Marcos, Rafael R Pappalardo
|May 26, 2022
A Coupled EXAFS-Molecular Dynamics Study on PuO2+ and NpO2+ Hydration: The Importance of Electron Correlation in Force-Field Building.Gema Raposo-Hernández, José M Martínez, Rafael R Pappalardo
|Aug 13, 2021
Hydration of Heavy Alkaline-Earth Cations Studied by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy.Rafael R Pappalardo, Daniel Z Caralampio, José M Martínez
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Frequent Collaborators
10 joint publications
Enrique Sánchez Marcos
5 joint publications
José M Martínez
3 joint publications
Gema Raposo-Hernández
2 joint publications
Florent Réal
2 joint publications
Valérie Vallet
1 joint publications
Sergio Pérez-Conesa
1 joint publications
Christophe Den Auwer
1 joint publications
Jorge Hernández-Cobos
