Exploiting Periodic First-Principles Calculations in NMR Spectroscopy of Disordered Solids
Author:
Affiliation:
1. School of Chemistry and EaStCHEM, University of St. Andrews, North Haugh, St. Andrews, KY16 9ST, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
General Medicine,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ar300303w
Reference30 articles.
1. All-electron magnetic response with pseudopotentials: NMR chemical shifts
2. Electronic Structure
3. First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View
4. Crystal Structure Based Design of Signal Enhancement Schemes for Solid-State NMR of Insensitive Half-Integer Quadrupolar Nuclei
Cited by 57 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. Structural Modeling of O/F Correlated Disorder in TaOF3 and NbOF3–x(OH)x by Coupling Solid-State NMR and DFT Calculations;Inorganic Chemistry;2023-09-25
2. Emerging Applications of 17O Solid-State NMR Spectroscopy for Catalytic Oxides;ACS Catalysis;2023-02-23
3. Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials;npj Computational Materials;2023-01-20
4. Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials;Physical Chemistry Chemical Physics;2023
5. Recent advances in probing host–guest interactions with solid state nuclear magnetic resonance;CrystEngComm;2021
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