Open AccessA Coupled EXAFS–Molecular Dynamics Study on PuO2+ and NpO2+ Hydration: The Importance of Electron Correlation in Force-Field Building
Author(s) -
Gema Raposo-Hernández,
José M. Martı́nez,
Rafael R. Pappalardo,
Christophe Den Auwer,
Enrique Sánchez Marcos
Publication year - 2022
Publication title -
inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 233
eISSN - 1520-510X
pISSN - 0020-1669
DOI - 10.1021/acs.inorgchem.2c00461
Subject(s) - chemistry , extended x ray absorption fine structure , aqueous solution , molecular dynamics , ion , spectral line , crystallography , computational chemistry , absorption spectroscopy , physics , organic chemistry , quantum mechanics , astronomy
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