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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

The Journal of Chemical Physics
2024-10-14 | Journal article
Contributors: Gema Raposo-Hernández; Rafael R. Pappalardo; Florent Réal; Valérie Vallet; Enrique Sánchez Marcos
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APPROACHING TO THE DIFFICULTIES OF SCIENCE DIVULGATION EVENTS: A SURVEY ON THE RESEARCHER PERSPECTIVE

2024-03 | Conference paper
Contributors: Guillermo Martínez Muñoz; Ernesto Javier Delgado-Pujol; Manuel Merinero; David Casado; Gema Raposo-Hernández; Juan Vázquez Cabello; Belén Begines; Ana Alcudia
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APPROACHING TO THE IMPACT OF SCIENCE DIVULGATION EVENTS: A SURVEY ON THE SOCIAL PERSPECTIVE OF SCIENCE

2024-03 | Conference paper
Contributors: Ernesto Javier Delgado-Pujol; Guillermo Martínez Muñoz; Manuel Merinero; David Casado; Gema Raposo-Hernández; Juan Vázquez Cabello; Belén Begines; Ana Alcudia
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Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics

The Journal of Chemical Physics
2023-02-14 | Journal article
Contributors: Gema Raposo-Hernández; Enrique Sánchez Marcos; Rafael R. Pappalardo; José M. Martínez
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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

Inorganic Chemistry
2022 | Journal article
EID:

2-s2.0-85131814568

Part of ISSN: 1520510X 00201669
Contributors: Raposo-Hernández, G.; Martínez, J.M.; Pappalardo, R.R.; Den Auwer, C.; Sánchez Marcos, E.
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GEMA RAPOSO-HERNANDEZ via Scopus - Elsevier
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