Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry
Author:
Affiliation:
1. Department of Chemistry, University of California—Davis, Davis, California 95616, United States
2. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, United States
Publisher
American Chemical Society (ACS)
Subject
General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/cr200106v
Reference240 articles.
1. Théorie quantique des courants interatomiques dans les combinaisons aromatiques
2. Perspective on Norman Ramsey’s theories of NMR chemical shifts and nuclear spin—spin coupling
3. Calculations of chemical shieldings: Theory and applications
4. Self-consistent perturbation theory of diamagnetism
Cited by 1054 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. Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione;Journal of Molecular Structure;2024-12
2. NMR study of the dynamic equilibria among isomeric species in quinoxalin-2-one derivatives;Journal of Molecular Structure;2024-11
3. Bridging pyrimidine hemicurcumin and Cisplatin: Synthesis, coordination chemistry, and in vitro activity assessment of a novel Pt(II) complex;Journal of Inorganic Biochemistry;2024-11
4. Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation Using Cholesky-Decomposed Densities and an Attenuated Coulomb Metric;The Journal of Physical Chemistry A;2024-09-06
5. Research on hot spot tracking and development trend of NMR quantum chemical calculation in structure elucidation: A bibliometric analysis;Microchemical Journal;2024-09
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