Core Excitations of Uranyl in Cs<sub>2</sub>UO<sub>2</sub>Cl<sub>4</sub> from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations-Reference-Cited by-同舟云学术

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Core Excitations of Uranyl in Cs₂UO₂Cl₄ from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations

Published:2023-07-11 Issue:29 Volume:62 Page:11589-11601
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Misael Wilken Aldair¹^ORCID,Severo Pereira Gomes André¹^ORCID

Affiliation:

1. Univ. Lille, CNRS, UMR 8523-PhLAM-Physique des Lasers Atomes et Molécules, F-59000 Lille, France

Funder

Minist?re de l'Enseignement sup?rieur, de la Recherche et de l'Innovation

Agence Nationale de la Recherche

European Regional Development Fund

Deutsche Forschungsgemeinschaft

Conseil R?gional Hauts-de-France

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.3c01302

Reference136 articles.

1. Nuclear fuel cycle science and engineering

2. Separation of actinides from spent nuclear fuel: A review

3. ACTINIDE PARTITIONING—A REVIEW

4. State-of-the-art progress for the selective crystallization of actinides, synthesis of actinide compounds and their functionalization

5. Extraction of lanthanides and actinides present in spent nuclear fuel and in electronic waste

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1. Bonding and Interactions in UO₂²⁺ for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations;The Journal of Physical Chemistry A;2024-09-11

2. Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry;Nature Reviews Chemistry;2024-08-22

3. Quantifying Covalency and Environmental Effects in RASSCF-Simulated O K-Edge XANES of Uranyl;Inorganic Chemistry;2024-08-02

4. Interoperable workflows by exchanging grid-based data between quantum-chemical program packages;The Journal of Chemical Physics;2024-04-28

5. Unveiling Hidden Shake-Up Features in the Uranyl M₄-Edge Spectrum;JACS Au;2024-03-06

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