Bonding and Interactions in UO<sub>2</sub><sup>2+</sup> for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations-Reference-Cited by-同舟云学术

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Bonding and Interactions in UO₂²⁺ for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations

Published:2024-09-11 Issue: Volume: Page:
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bagus Paul S.¹^ORCID,Nelin Connie J.²,Schacherl Bianca³^ORCID,Vitova Tonya³^ORCID,Polly Robert³

Affiliation:

1. Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, United States

2. Consultant, Austin, Texas 78730, United States

3. Karlsruhe Institute of Technology (KIT), Institute for Nuclear Waste Disposal (INE), P.O. 3640, D-76021 Karlsruhe, Germany

Funder

Basic Energy Sciences

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c03555

Reference31 articles.

1. Electronic Structure of Actinyls: Orbital Properties

2. Actinyl Electronic Structure Probed by XAS: The Role of Many-Body Effects

3. Fifteen Years of Radionuclide Research at the KIT Synchrotron Source in the Context of the Nuclear Waste Disposal Safety Case

4. Covalency in f-element complexes

5. Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning

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