Ground-state actinide chemistry with scalar-relativistic multiconfiguration pair-density functional theory
Author:
Affiliation:
1. Department of Chemistry, University of Nevada Reno, 1664 N. Virginia Street, Reno, Nevada 89557-0216, USA
Funder
Division of Chemistry
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5099373
Reference126 articles.
1. How accurate are electronic structure methods for actinoid chemistry?
2. Transuranic Computational Chemistry
3. Theoretical Actinide Molecular Science
4. Actinide Chemistry in Solution, Quantum Chemical Methods and Models
5. Recent advances in computational actinoid chemistry
Cited by 11 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. Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules;The Journal of Physical Chemistry A;2023-10-27
2. Effects of ligands on excitation energies of [ UO 2 X 4 ] 2− and UO 2 X 2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory;International Journal of Quantum Chemistry;2022-07-15
3. Ab initio composite strategies and multireference approaches for lanthanide sulfides and selenides;The Journal of Chemical Physics;2022-07-14
4. New Light on an Old Story: Breaking Kasha’s Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule Design;International Journal of Molecular Sciences;2022-01-14
5. Use of vibrational spectroscopy to identify the formation of neptunyl–neptunyl interactions: a paired density functional theory and Raman spectroscopy study;Dalton Transactions;2022
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