Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds-Reference-Cited by-同舟云学术

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Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds

Published:2021-03-25 Issue:13 Volume:125 Page:2791-2799
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Christian Matthew S.¹²^ORCID,Johnson Erin R.³^ORCID,Besmann Theodore M.¹²

Affiliation:

1. Nuclear Engineering Program, University of South Carolina, Columbia, South Carolina 29208, United States

2. Center for Hierarchical Waste Form Materials (CHWM), University of South Carolina, Columbia, South Carolina 29208, United States

3. Department of Chemistry, Dalhousie University, 6274 Coburg Road, Halifax, Nova Scotia B3H 4R2, Canada

Funder

Basic Energy Sciences

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c10533

Reference82 articles.

1. Nuclear waste forms for actinides

2. Large Scale Simulation of Nuclear Waste Materials

3. Metrics for the Technical Performance Evaluation of Light Water Reactor Accident-Tolerant Fuel

4. Large-scale, density functional theory-based screening of alloys for hydrogen evolution

5. Environmental Informatics for Solid and Hazardous Waste Management: Advances, Challenges, and Perspectives

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1. The Role of Alkalis in Orchestrating Uranyl‐Peroxide Reactivity Leading to Direct Air Capture of Carbon Dioxide;Chemistry – A European Journal;2024-04-03

2. Extension of the D3 and D4 London dispersion corrections to the full actinides series;Physical Chemistry Chemical Physics;2024

3. An atomistic study of fundamental bulk and defect properties in α-uranium;Journal of Nuclear Materials;2023-04

4. Computational workflows for perovskites: case study for lanthanide manganites;Physical Chemistry Chemical Physics;2023

5. Modeling Metallic Halide Local Structures in Salt Melts Using a Genetic Algorithm;The Journal of Physical Chemistry C;2022-06-01

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