Using Density Based Indexes and Wave Function Methods for the Description of Excited States: Excited State Proton Transfer Reactions as a Test Case
Author:
Affiliation:
1. Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris, F-75005 Paris, France
Funder
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b10033
Reference58 articles.
1. Molecular Switches
2. Ultrafast Dynamics of Photochromic Systems
3. Spiropyrans and Spirooxazines for Memories and Switches
4. Theoretical Description of Structural and Electronic Properties of Organic Photovoltaic Materials
Cited by 12 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. Visualizing and characterizing excited states from time-dependent density functional theory;Physical Chemistry Chemical Physics;2024
2. Density-functional theory for electronic excited states;Theoretical and Computational Photochemistry;2023
3. Modeling UV–Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSe;Journal of Computational Chemistry;2021-05-12
4. General Density-Based Index to Analyze Charge Transfer Phenomena: From Models to Butterfly Molecules;Journal of Chemical Theory and Computation;2020-05-14
5. Following the evolution of excited states along photochemical reaction pathways;Journal of Computational Chemistry;2020-05-05
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