The pKatheoretical estimation of C―H, N―H, O―H and S―H acids in dimethylsulfoxide solution
Author:
Affiliation:
1. Institution of Russian Academy of Sciences Institute of Organic Chemistry; Ufa Scientific Centre of the RAS; 71 Prospect Oktyabrya 450054 Ufa Russian Federation
Publisher
Wiley
Subject
Organic Chemistry,Physical and Theoretical Chemistry
Reference44 articles.
1. Quantitative structure-property relationship (QSPR) model for predicting acidities of ketones
2. A Simple scheme for estimating the pKa values of 5-substituted uracils
3. IEF-PCM Calculations of Absolute pKa for Substituted Phenols in Dimethyl Sulfoxide and Acetonitrile Solutions
4. First-Principles Calculation of pKa Values for Organic Acids in Nonaqueous Solution
5. First-Principle Predictions of Absolute pKa's of Organic Acids in Dimethyl Sulfoxide Solution
Cited by 11 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. Parameterization of the IEF PCM model for calculating solvation energies in N -methylpyrrolidone solution;Physics and Chemistry of Liquids;2024-02-25
2. Quantum Chemical Study of the Mechanism of (E,Z)-1,3-Diphenyl-2-Aza-1,3-Diene Stereoselective Formation from N-Benzyl-1-Phenylethane-1-Imine and Acetylene in the KOt-Bu/DMSO Superbasic Environment;Journal of Structural Chemistry;2023-03
3. Choosing a solvation model for simulating reactions in KOH(KOBut)/DMSO superbasic media;Journal of Physics: Conference Series;2021-03-01
4. Correlation between the pKa and nuclear shielding of α-hydrogen of ketones;Journal of Molecular Modeling;2019-11-25
5. Assessment of pKa Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP;The Journal of Physical Chemistry A;2019-09-04
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