A Coupled EXAFS–Molecular Dynamics Study on PuO2+ and NpO2+ Hydration: The Importance of Electron Correlation in Force-Field Building
Author:
Affiliation:
1. Department of Physical Chemistry, University of Seville, 41012 Seville, Spain
2. Université Côte d’ Azur, CNRS, ICN, 06108 Nice, France
Funder
Consejer?a de Econom?a, Innovaci?n, Ciencia y Empleo, Junta de Andaluc?a
Ministerio de Ciencia e Innovaci?n
European Regional Development Fund
Universidad de Sevilla
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.2c00461
Reference70 articles.
1. Lanthanide and Actinide Chemistry
2. Structure of the hydrated dioxouranium(VI) ion in aqueous solution. An x-ray diffraction and proton NMR study
3. Investigation of Aquo and Chloro Complexes of UO22+, NpO2+, Np4+, and Pu3+ by X-ray Absorption Fine Structure Spectroscopy
4. Structure of Uranium(VI) in Strong Alkaline Solutions. A Combined Theoretical and Experimental Investigation
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