Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin–orbit and derivative couplings. Nonadiabatic photodissociation dynamics of NH3(A) leading to the NH(X3Σ−, a1Δ) + H2 channel
Author:
Affiliation:
1. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA
2. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
Abstract
Funder
National Science Foundation
U.S. Department of Energy
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01271E
Reference61 articles.
1. Zur Quantentheorie der Molekeln
2. Diabolical conical intersections
3. W.Domcke , D. R.Yarkony and H.Köppel , Conical Intersections: Electronic Structure, Dynamics and Spectroscopy , World Scientific , Singapore , 2004
4. Ab Initio Nonadiabatic Quantum Molecular Dynamics
5. Isomerization Through Conical Intersections
Cited by 4 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. Spin-Dependent Stereochemistry: A Nonadiabatic Quantum Dynamics Case Study of S + H2 → SH + H Reaction;The Journal of Physical Chemistry Letters;2024-03-20
2. Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of trans-3,4-Dimethyl-1,2-dioxetane;The Journal of Physical Chemistry Letters;2024-02-09
3. Quantum simulation of conical intersections;Physical Chemistry Chemical Physics;2024
4. The Unified Hamiltonian Formalism of Spin–Orbit Jahn–Teller and Pseudo-Jahn–Teller Problems in All Axial Symmetries;Journal of Chemical Theory and Computation;2023-10-17
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