Unraveling substituent effects on frontier orbitals of conjugated molecules using an absolutely localized molecular orbital based analysis
Author:
Affiliation:
1. Kenneth S. Pitzer Center for Theoretical Chemistry
2. Department of Chemistry
3. University of California at Berkeley
4. Berkeley
5. USA
6. Department of Chemistry and Biochemistry
7. University of Oklahoma
8. Norman
Abstract
An extended ALMO-EDA scheme to analyze substituent effects on frontier orbitals of conjugated molecules.
Funder
Small Business Innovative Research and Small Business Technology Transfer
National Science Foundation
University of Oklahoma
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/SC/C8SC02990C
Reference88 articles.
1. Substituent Effect on the Meso-Substituted Porphyrins: Theoretical Screening of Sensitizer Candidates for Dye-Sensitized Solar Cells
2. Meso-Substituted Porphyrins for Dye-Sensitized Solar Cells
3. β-Functionalized Push–Pull opp-Dibenzoporphyrins
4. Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
5. Influence of the electron donor groups on the optical and electrochemical properties of borondifluoride complexes of curcuminoid derivatives: a joint theoretical and experimental study
Cited by 47 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. Multifunctional biocomposites based on cross-linked Shrimp waste-derived chitosan modified Zn2+@Calcium apatite for the removal of methyl orange and antibacterial activity;Materials Today Sustainability;2024-03
2. A B3LYP-D3 computational study of electronic, structural and torsional dynamic properties of mono-substituted naphthalenes: the effect of the nature and position of substituent;Journal of Molecular Modeling;2024-02-29
3. An Organic Chemist's Guide to Fluorophores – Understanding Common and Newer Non‐Planar Fluorescent Molecules for Biological Applications;European Journal of Organic Chemistry;2024-02-02
4. Tuning melanin: theoretical analysis of functional group impact on electrochemical and optical properties;Materials Advances;2024
5. Toward the Strong Antioxidant Derivatives of Kojic Acid by Introducing Phenyl Moieties;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