Toward Universal Substituent Constants: Relating QTAIM Functional Group Descriptors to Substituent Effect Proxies
Author:
Affiliation:
1. Department of Chemistry, Lakehead University, 955 Oliver Road, Thunder Bay, Ontario P7B 5E1, Canada
Funder
Lakehead University
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00987
Reference72 articles.
1. Polarity of organometallic systems: Correlation analysis via substituent constants
2. Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C2H2/CH4 and CO2/CH4 adsorption properties
3. Effect of substituent dependent molecular structure on anti-corrosive behavior of one-pot multicomponent synthesized pyrimido [2,1-B] benzothiazoles: Computer modelling supported experimental studies
4. Theoretical study of the substituent effect on the O–H insertion reaction of copper carbenoids
5. Estimation of activation energies for carbene/alkene additions
Cited by 2 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. Towards universal substituent constants: Parameterizing bond critical point properties with electronegativity descriptors;International Journal of Quantum Chemistry;2024-03-23
2. Principal Component Analysis of Localization-Delocalization Matrices;Lecture Notes in Chemistry;2024
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