The charge transfer limit of a chemical adduct: the role of perturbation on external potential
Author:
Affiliation:
1. Department of Chemistry
2. Birla Institute of Technology and Science
3. Pilani-333031
4. India
Abstract
Density functional reactivity theory (DFRT) based charge transfer limits without and with external potential perturbation.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01208J
Reference35 articles.
1. Absolute hardness: companion parameter to absolute electronegativity
2. An Interpretation of Bond Lengths and a Classification of Bonds
3. Carbon—Carbon Bond Lengths
4. Electronegativity: The density functional viewpoint
5. A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactions
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. Local and Nonlocal Descriptors of the Site and Bond Chemical Reactivity of Molecules;Electron Density;2024-07-05
2. Perturbed reactivity descriptors in the two parabolas model of fractional electron number;Theoretical Chemistry Accounts;2023-09-13
3. Halogen substituted aurones as potential apoptotic agents: synthesis, anticancer evaluation, molecular docking, ADMET and DFT study;Journal of Biomolecular Structure and Dynamics;2023-07-30
4. Perturbed reactivity descriptors in the two parabolas model of fractional electron number;2023-07-17
5. Components of density functional reactivity theory-based stabilization energy: descriptors for thermodynamic and kinetic reactivity;Chemical Reactivity;2023
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