Nuclear magnetic resonance shielding tensors calculated with kinetic energy density-dependent exchange-correlation functionals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference27 articles.
1. Toward chemical accuracy in the computation of NMR shieldings: the PBE0 model
2. An accurate density functional method for the study of magnetic properties: the PBE0 model
3. Improved NMR chemical shifts in density functional theory
4. A comparison of models for calculating nuclear magnetic resonance shielding tensors
5. Time-dependent density functional theory as a foundation for a firmer understanding of sum-over-states density functional perturbation theory: ?Loc.3? approximation
Cited by 44 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. Identifying the lithium bond and lithium ionic bond in electrolytes;Chem;2024-08
2. Comment on: “Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation”;The Journal of Physical Chemistry Letters;2024-06-13
3. Implementation and First Evaluation of Strong-Correlation-Corrected Local Hybrid Functionals for the Calculation of NMR Shieldings and Shifts;The Journal of Physical Chemistry A;2024-03-08
4. Revisiting Gauge-Independent Kinetic Energy Densities in Meta-GGAs and Local Hybrid Calculations of Magnetizabilities;The Journal of Physical Chemistry A;2023-12-15
5. Exact two-component theory becoming an efficient tool for NMR shieldings and shifts with spin–orbit coupling;The Journal of Chemical Physics;2023-11-08
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