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Rafael R Pappalardo

10PUBLICATIONS

8CO-AUTHORS

Transport properties and non-equilibrium processesMetal cluster chemistryChemical thermodynamics and energeticsPhotonics, optoelectronics and optical communicationsTheoretical quantum chemistry

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Publications (10)

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|Jun 16, 2025

U<sup>4+</sup> 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 PuO<sub>2</sub><sup>+</sup> and NpO<sub>2</sub><sup>+</sup> 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

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

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