51V NMR parameters of VOCl3: static and dynamic density functional study from the gas phase to the bulk
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2011/CP/C0CP01176B
Reference74 articles.
1. Probing organometallic structure and reactivity by transition metal NMR spectroscopy†
2. Chapter 3 DFT Computations of Transition-Metal Chemical Shifts
3. Electric field gradients of transition metal complexes from density functional theory: assessment of functionals, geometries and basis sets
4. I. Ciofini , in Calculation of NMR and EPR Parameters: Theory and Applications, ed. M. Kaupp, M. Bühl and V. G. Malkin, Wiley-VCH, Weinheim, 2004, p. 191
5. D. J. Searles and H.Huber, in: Calculation of NMR and EPR Parameters: Theory and Applications, ed. M. Kaupp, M. Bühl and V. G. Malkin, Wiley-VCH, Weinheim, 2004, p. 175
Cited by 19 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. Structure and reactivity of surface vanadia sites in bi-layered supported VOx/AlOx/SiO2 catalysts via solid-state NMR, first-principles calculations, and catalytic studies;Catalysis Today;2024-11
2. Predicting 51V nuclear magnetic resonance observables in molecular crystals;Magnetic Resonance in Chemistry;2023-12-19
3. Effects of the Hubbard potential on the NMR shielding and optoelectronic properties of BiMnVO5 compound;Scientific Reports;2023-04-10
4. Comparative DFT calculations on Bismuth-based compounds: new connection between optoelectronic properties and 209Bi and 51 V NMR and EFG;Indian Journal of Physics;2022-09-17
5. Accurate fragment-based 51-V chemical shift predictions in molecular crystals;Solid State Nuclear Magnetic Resonance;2021-08
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