Tight-Binding Modeling of Uranium in an Aqueous Environment
Author:
Affiliation:
1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States
Funder
Los Alamos National Laboratory
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00089
Reference61 articles.
1. A Description of the Chemistry of Aqueous Solutions of Uranium and Plutonium to 200°C Using Potential-pH Diagrams
2. Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products
3. Aquatic chemistry and solubility phenomena of actinide oxides/hydroxides
4. Characterisation of the dimer formed by hydrolysis of uranyl in aqueous solution and its role in the biexponential luminescence decay
Cited by 7 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Efficient Parameterization of Density Functional Tight-Binding for 5f-Elements: A Th–O Case Study;Journal of Chemical Theory and Computation;2024-07-11
2. Ab-Initio molecular dynamics simulations of binary NaCl-ThCl4 and ternary NaCl-ThCl4-UCl3 molten salts;Journal of Molecular Liquids;2023-09
3. Architector for high-throughput cross-periodic table 3D complex building;Nature Communications;2023-05-15
4. Intrinsic oxygen defects in UO2 (1 1 1) and PuO2 (1 1 1) surfaces;Applied Surface Science;2023-02
5. N2-to-NH3 conversion by excess electrons trapped in point vacancies on 5f-element dioxide surfaces;Frontiers in Chemistry;2023-01-05
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3