Quantum Mechanical and Quasiclassical Trajectory Surface Hopping Studies of the Electronically Nonadiabatic Predissociation of the à State of NaH2
Author:
Affiliation:
1. Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, and NASA Ames Research Center, Mail Stop 230-3, Moffett Field, California 94035-1000
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9912049
Reference52 articles.
1. Effects of Surface Crossing in Chemical Reactions: The H3+ System
2. The quenching of Na(3 2P) by H2: Interactions and dynamics
3. Trajectory‐surface‐hopping study of Na(3p 2P) +H2 → Na(3s 2S)+H2(v′, j′, θ)
4. The effect of a conical intersection on cross sections for collision‐induced dissociation
5. Molecular dynamics with electronic transitions
Cited by 80 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. ANT 2023: A program for adiabatic and nonadiabatic trajectories;Computer Physics Communications;2024-03
2. ChemPotPy: A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy Matrices;The Journal of Physical Chemistry A;2023-11-02
3. New Gradient Correction Scheme for Electronically Nonadiabatic Dynamics Involving Multiple Spin States;Journal of Chemical Theory and Computation;2023-04-20
4. Direct Nonadiabatic Dynamics of Ammonia with Curvature-Driven Coherent Switching with Decay of Mixing and with Fewest Switches with Time Uncertainty: An Illustration of Population Leaking in Trajectory Surface Hopping Due to Frustrated Hops;Journal of Chemical Theory and Computation;2023-03-06
5. Zero-point averaged dynamics of Arn+He1000: Dopant-size influence on potential-energy surfaces, mass spectra and fragmentation patterns;Chemical Physics;2021-10
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