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Relativistic Multiconfigurational Ab Initio Calculation of Uranyl 3d4f Resonant Inelastic X-ray Scattering

[Image: see text] We applied relativistic multiconfigurational all-electron ab initio calculations including the spin–orbit interaction to calculate the 3d4f resonant inelastic X-ray scattering (RIXS) map (3d(3/2) → 5f(5/2) U M(4) absorption edge and 4f(5/2) → 3d(3/2) U M(β) emission) of uranyl (UO(...

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Detalles Bibliográficos
Autores principales:	Polly, Robert, Schacherl, Bianca, Rothe, Jörg, Vitova, Tonya
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693175/ https://www.ncbi.nlm.nih.gov/pubmed/34818001 http://dx.doi.org/10.1021/acs.inorgchem.1c02364

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