A Relativistic Density Functional Study on the Uranium Hexafluoride and Plutonium Hexafluoride Monomer and Dimer Species
Author:
Affiliation:
1. Contribution from the Department of Chemistry, University of Cambridge, Cambridge, CB2 1EW, U.K., and BNFL, Springfield, Preston, PR4 OXJ, U.K.
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja9811492
Reference47 articles.
1. Relativistic effects in structural chemistry
2. Studies on the Failure of the First Born Approximation in Electron Diffraction. I. Uranium Hexafluoride.
3. Reactivity and Thermal Stability of Hexafluorides
Cited by 46 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. Deposition products predicted from conceptual DFT: The hydrolysis reactions of MoF6, WF6, and UF6;The Journal of Chemical Physics;2023-11-14
2. Periodic trends in trivalent actinide halides, phosphates, and arsenates;Dalton Transactions;2023
3. Computational Studies of Uranium Hexafluoride Interacting with Functionalized Organics. I. Screening Intermolecular Potentials between UF6 and Small Organic Functional Groups;The Journal of Physical Chemistry A;2021-11-10
4. Revisiting UF6, NpF6 and PuF6 for bonding and molecular surface analysis within density functional theory: Comparative study at the different theory levels with the same basis set;Polyhedron;2021-11
5. Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures;Journal of Chemical Theory and Computation;2021-08-09
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