Distinguishing Intra- and Intermolecular Interactions in Liquid 1,2-Ethanediol by 1H NMR and Ab Initio Molecular Dynamics
Author:
Affiliation:
1. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
Funder
Department of Science and Technology, Ministry of Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.8b07750
Reference40 articles.
1. Ethylene glycol revisited: Molecular dynamics simulations and visualization of the liquid and its hydrogen-bond network
2. Quantum Chemical Conformational Analysis of 1,2-Ethanediol: Correlation and Solvation Effects on the Tendency To Form Internal Hydrogen Bonds in the Gas Phase and in Aqueous Solution
3. On the Extent of Intramolecular Hydrogen Bonding in Gas-Phase and Hydrated 1,2-Ethanediol
4. The Rotational–Torsional Spectrum of the g′Gg Conformer of Ethylene Glycol: Elucidation of an Unusual Tunneling Path
5. Infrared studies on rotational isomerism. I. Ethylene glycol
Cited by 15 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. Transferable Anisotropic Mie Potential Force Field for Alkanediols;The Journal of Physical Chemistry B;2024-05-06
2. Structure and dynamics of a glucose-based cryoprotectant mixture: a computer simulation study;Theoretical Chemistry Accounts;2023-04-19
3. Fast quantification of water content in glycols by compact 1H NMR spectroscopy;Talanta;2023-02
4. Applications of the quantum theory of atoms in molecules and the interacting quantum atoms methods to the study of hydrogen bonds;Advances in Quantum Chemical Topology Beyond QTAIM;2023
5. New insights and updated correlations for density, viscosity, refractive index, and associated properties of aqueous 4-diethyl-amino-2-butanol solution;Fluid Phase Equilibria;2022-11
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