Photostability via a Sloped Conical Intersection: A CASSCF and RASSCF Study of Pyracylene
Author:
Affiliation:
1. Chemistry Department, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp053354r
Reference69 articles.
1. Molecular and electronic structure of pyracylene
2. Simulation of MC-SCF results on covalent organic multi-bond reactions: molecular mechanics with valence bond (MM-VB)
3. Molecular mechanics valence bond methods for large active spaces. Application to conjugated polycyclic hydrocarbons
4. Diphenylene oxide and cyclopentacenaphthylene(s) in flame soots
Cited by 23 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. Modeling Photodissociation: Quantum Dynamics Simulations of Methanol;The Journal of Physical Chemistry A;2024-08-28
2. Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size;Journal of Chemical Theory and Computation;2023-10-26
3. Intrinsic Photostability in Dithiolonaphthalimide Achieved by Disulfide Bond-Induced Excited-State Quenching;The Journal of Physical Chemistry Letters;2023-09-18
4. Spin–Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction;The Journal of Physical Chemistry A;2023-01-31
5. Molecular Design Learned from the Natural Product Porphyra-334: Molecular Generation via Chemical Variational Autoencoder versus Database Mining via Similarity Search, A Comparative Study;ACS Omega;2022-03-02
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