All-electron magnetic response with pseudopotentials: NMR chemical shifts
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.63.245101/fulltext
Reference37 articles.
1. Quantum mechanical calculation of 23 Na NMR shieldings in silicates and aluminosilicates
2. Second-nearest-neighbor effects on the NMR shielding of N in P3N5 and hexagonal BN
3. Calculation of 29Si and 27Al MAS NMR Chemical Shifts in Zeolite-β Using Density Functional Theory: Correlation with Lattice Structure
4. Density Functional Calculations of the 29Si and 27Al MAS NMR Spectra of the Zeolite Mazzite: Analysis of Geometrical and Electronic Effects
Cited by 1574 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. Predicting 35-Cl electric field gradient tensors in crystalline solids using cluster and fragment-corrected planewave density functional theory;Solid State Nuclear Magnetic Resonance;2024-10
2. First-principles calculations of dynamical Born effective charges, quadrupoles, and higher order terms from the charge response in large semiconducting and metallic systems;Physical Review B;2024-09-03
3. A comprehensive solid-state NMR and theoretical modeling study to reveal the structural evolution of layered yttrium hydroxide upon calcination;Journal of Magnetic Resonance Open;2024-09
4. Composition and Structure of the solid electrolyte interphase on Na-Ion Anodes Revealed by Exo- and Endogenous Dynamic Nuclear Polarization─NMR Spectroscopy;Journal of the American Chemical Society;2024-08-22
5. Probing Noncovalent Interactions by Fast Magic‐Angle Spinning NMR at 100 kHz and More;ChemPhysChem;2024-08-12
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