The pitfalls of using JHF spin–spin coupling constants to infer hydrogen bond formation in organofluorine compounds
Author:
Affiliation:
1. Universidade Estadual de Campinas (UNICAMP), Instituto de Química, Monteiro Lobato Street, Campinas, Sao Paulo 13083-862, Brazil
2. Department of Chemistry, Johns Hopkins University, 3400 North Charles St., Baltimore, MD, 21218, USA
Abstract
Funder
Fundação de Amparo à Pesquisa do Estado de São Paulo
Fundo de Apoio ao Ensino, à Pesquisa e Extensão, Universidade Estadual de Campinas
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2023/CC/D3CC05389J
Reference26 articles.
1. Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory
2. Improvements in DFT Calculations of Spin–Spin Coupling Constants
3. Analyzing and Interpreting NMR Spin–Spin Coupling Constants Using Molecular Orbital Calculations
4. Nuclear Spin–Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid Functionals
5. R. H.Contreras and J. C.Facelli , Advances in Theoretical and Physical Aspects of Spin–Spin Coupling Constants , 1993 , vol. 41
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