Core electron excitations in U4+: modelling of the nd105f2→ nd95f3transitions with n = 3, 4 and 5 by ligand field tools and density functional theory
Author:
Affiliation:
1. Paul Scherrer Institute
2. CH 5232 Villigen PSI
3. Switzerland
4. Department of Chemistry of the University of Fribourg
5. CH 1700 Fribourg
Abstract
A theoretical model of the core d-electron excitations in uranium compounds is accomplished with the LFDFT code.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP01395C
Reference107 articles.
1. M. Dolg , Computational Methods in Lanthanide and Actinide Chemistry, John Wiley & Sons, United Kingdom, 2015
2. Theoretical insights into the chemical bonding in actinide complexes
3. Covalency in f-element complexes
4. Developments in the photophysics and photochemistry of actinide ions and their coordination compounds
5. L. R. Morss , N. M.Edelstein and J.Fuger, The Chemistry of the Actinide and Transactinide Elements, Springer, The Netherlands, 4th edn, 2011
Cited by 22 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. On the origin of low-valent uranium oxidation state;Nature Communications;2024-08-10
2. Extreme Ultraviolet Reflection Spectroscopy of Lanthanides and Actinides Using a High Harmonic Generation Light Source;The Journal of Physical Chemistry Letters;2024-06-17
3. On the origin of low-valent uranium oxidation state;2024-02-02
4. Multielectronic and multiatomic effects in the U O4,5 x-ray absorption spectroscopy of uranium dioxide;Journal of Vacuum Science & Technology A;2023-10-03
5. Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations;Inorganic Chemistry;2023-07-11
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