An approach to evaluation of 19F-NMR chemical shifts via basis functions analysis in fluorinated small compounds
Author:
Publisher
Wiley
Subject
Spectroscopy
Reference43 articles.
1. NMR spectroscopy: Quantum-chemical calculations;Bühl;WIREs Comput Mol Sci,2011
2. Spin-spin coupling tensors as determined by experiment and computational chemistry;Vaara;Prog Nucl Magn Reson Spectrosc,2002
3. Nuclear magnetic moments from spectra-experimental gas phase studies and nuclear shielding calculations;Jackowski;Conc Magn Reson A,2007
4. A hybrid quantum mechanical and empirical model for the prediction of isotropic 13C shielding constants of organic molecules;Giesen;Phys Chem Chem Phys,2002
5. The chemical shift and other second-order magnetic and electric properties of small molecules;Lipscomb;Adv Magn Reson,1966
Cited by 20 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. On the relativistic effects on 19F nuclear magnetic resonance chemical shifts in the presence of iodine atoms;Journal of Fluorine Chemistry;2023-10
2. Nitrogen-15 and Fluorine-19 Relaxation Dynamics and Spin-Relayed SABRE-SHEATH Hyperpolarization of Fluoro-[15N3]metronidazole;The Journal of Physical Chemistry A;2023-06-06
3. Computational protocol for predicting 19 F NMR chemical shifts for PFAS and connection to PFAS structure;Journal of Computational Chemistry;2022-06-06
4. A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine–carbon and fluorine–boron bonds;Physical Chemistry Chemical Physics;2022
5. Benchmark density functional theory calculations of 13 C NMR chemical shifts of the natural antimalarial compounds with a new basis set 3z‐S;International Journal of Quantum Chemistry;2021-02-20
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