pKa of Acetate in Water: A Computational Study
Author:
Affiliation:
1. Department of Chemistry, Queensborough Community College of The City University of New York, 222-05 56th Avenue, Bayside, New York 11364-1497
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp053996e
Reference121 articles.
1. Abeles, R. H.; Frey, P. A.; Jencks, W. P.Biochemistry; Jones and Bartlett: Boston, MA, 1992.
2. Formation and Stability of Carbocations and Carbanions in Water and Intrinsic Barriers to Their Reactions
Cited by 58 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. Accurate Computation of Aqueous pKas of Biologically Relevant Organic Acids: Overcoming the Challenges Posed by Multiple Conformers, Tautomeric Equilibria, and Disparate Functional Groups with the Fully Black-Box pK-Yay Method;The Journal of Physical Chemistry A;2023-10-20
2. How to Predict the pKa of Any Compound in Any Solvent;ACS Omega;2022-05-09
3. Prediction of protein pKa with representation learning;Chemical Science;2022
4. pK-Yay: A Black-Box Method Using Density Functional Theory and Implicit Solvation Models to Compute Aqueous pKa Values of Weak and Strong Acids;The Journal of Physical Chemistry A;2020-09-24
5. Twenty years of exceptional success: The molecular education and research consortium in undergraduate computational chemistry ( MERCURY );International Journal of Quantum Chemistry;2020-06
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