Assessing the Performance of DFT Functionals for Excited-State Properties of Pyridine-Thiophene Oligomers
Author:
Affiliation:
1. Department of Chemistry, Indian Institute of Technology Guwahati, Guwahati 781039, India
Funder
Science and Engineering Research Board
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c08727
Reference88 articles.
1. Density-Functional Theory for Time-Dependent Systems
2. Casida, M. E. Recent Advances in Density Functional Methods; World Scientific, 1995; pp 155–192.
3. Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry
4. Conical intersections and double excitations in time-dependent density functional theory
5. Perspectives on double-excitations in TDDFT
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. The solution structure of macrocyclic glecaprevir and its conformational adaptation mechanism towards antitumor targets;Journal of Molecular Structure;2025-02
2. Sulfur-substituted perylenediimides: Easy tunability of the electronic character;Dyes and Pigments;2024-08
3. Ground-State Tautomerism and Excited-State Proton Transfer in 7-Hydroxy-4-methyl-8-((phenylimino)methyl)-2H-chromen-2-one as a Potential Proton Crane;Physchem;2024-03-11
4. Theoretical Understanding of the Long-Range Proton Transfer Mechanism in 7-Hydroxy Quinoline-Based Molecular Switches: Varma’s Proton Crane and Its Analogues;The Journal of Physical Chemistry A;2024-02-12
5. Azaindolizine proton cranes attached to 7-hydroxyquinoline and 3-hydroxypyridine: a comparative theoretical study;Physical Chemistry Chemical Physics;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