Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems

Published:2022-04-26 Issue:5 Volume:18 Page:3027-3038
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Stella Martina¹²^ORCID,Thapa Kritam¹,Genovese Luigi³,Ratcliff Laura E.¹⁴^ORCID

Affiliation:

1. Department of Materials, Imperial College London, London SW7 2AZ, U.K.

2. The Abdus Salam International Centre for Theoretical Physics, Condensed Matter and Statistical Physics, Trieste 34151, Italy

3. Université Grenoble Alpes, CEA, IRIG-MEM-L_Sim, Grenoble 38000, France

4. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.

Funder

Engineering and Physical Sciences Research Council

Thomas Young Centre

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00548

Reference89 articles.

1. Modeling Materials and Processes in Hybrid/Organic Photovoltaics: From Dye-Sensitized to Perovskite Solar Cells

2. Thermally Activated Delayed Fluorescence Materials Towards the Breakthrough of Organoelectronics

3. Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes

4. Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein

5. Delayed thermal fluorescence of anthraquinone in solutions

Cited by 3 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. Exploratory data science on supercomputers for quantum mechanical calculations;Electronic Structure;2024-06-01

2. Sulfur Oxidation State and Substituents Influenced Multifunctional Organic Luminophores in BTP Core for OLEDs: A Computational Study on RTP, TADF Emitter and Sensitizer;The Journal of Physical Chemistry A;2023-12-08

3. Roadmap on electronic structure codes in the exascale era;Modelling and Simulation in Materials Science and Engineering;2023-08-07

同舟云学术

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