Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory
Author:
Affiliation:
1. Department of Chemistry, Beckman Institute, and Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp072027b
Reference42 articles.
1. Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer around a Three-State Conical Intersection in Malonaldehyde
2. Competitive Decay at Two- and Three-State Conical Intersections in Excited-State Intramolecular Proton Transfer
3. Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-State Two-Mode Pathway in Polymethine Cyanines
4. Insights for Light-Driven Molecular Devices from Ab Initio Multiple Spawning Excited-State Dynamics of Organic and Biological Chromophores
5. Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics
Cited by 112 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. Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface;Journal of Chemical Theory and Computation;2024-09-04
2. Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore;Communications Chemistry;2024-02-05
3. Photo-induced structural dynamics of o-nitrophenol by ultrafast electron diffraction;Physical Chemistry Chemical Physics;2024
4. Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning;The Journal of Physical Chemistry A;2023-12-18
5. The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation;Molecular Physics;2022-12-09
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