Predicting anisotropic thermal displacements for hydrogens from solid-state NMR: a study on hydrogen bonding in polymorphs of palmitic acid
Author:
Affiliation:
1. Department of Chemistry
2. University of Central Florida
3. Orlando
4. USA
5. University of California
6. Riverside
Abstract
Solid-state NMR and DFT methods establish anisotropic thermal displacements for COOH hydrogens in several polymorphs of palmitic acid.
Funder
National Science Foundation
National Institutes of Health
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP06724K
Reference78 articles.
1. Facts and fictions about polymorphism
2. Competing Intermolecular Interactions in the High-Temperature Solid Phases of Even Saturated Carboxylic Acids (C10H19O2H to C20H39O2H)
3. Structures of the High-Temperature Solid Phases of the Odd-Numbered Fatty Acids from Tridecanoic Acid to Tricosanoic Acid
4. Polymorphism of even saturated carboxylic acids from n-decanoic to n-eicosanoic acid
5. Fatty acids polymorphism and solid-state miscibility
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. Distinguishing between COOH, COO−, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements;Magnetic Resonance in Chemistry;2024-01-18
2. Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP);CrystEngComm;2024
3. NMR-guided refinement of crystal structures using 15N chemical shift tensors;CrystEngComm;2024
4. TensorView for MATLAB: Visualizing tensors with Euler angle decoding;Solid State Nuclear Magnetic Resonance;2023-02
5. Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate;Proceedings of the National Academy of Sciences;2022-01-07
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