Influence of rovibrational excitation on the non-diabatic state-to-state dynamics for the Li(2p) + H2 → LiH + H reaction
Author:
Publisher
Springer Science and Business Media LLC
Subject
Multidisciplinary
Link
http://www.nature.com/articles/s41598-017-03274-y.pdf
Reference37 articles.
1. Dunne, L. J., Murrell, J. N. & Jemmer, P. Analytical potential energy surface and quasi-classical dynamics for the reaction LiH(X, 1Σ+) + H(2S) → Li(2S) + H2(X, 1Σg +). Chem. Phys. Lett. 336, 1–6 (2001).
2. Berriche, H. & Tlili, C. Ab initio potential energy surface and rotationally inelastic collisions of LiH (X1Σ+) with H. I. The ab initio evaluation of the potential energy surface. J. Mol. Struct.: THEOCHEM 678, 11–16 (2004).
3. Padmanaban, R. & Mahapatra, S. Quantum wave-packet dynamics of H + HLi scattering: Reaction cross section and thermal rate constant. J. Chem. Phys. 121, 7681–7691 (2004).
4. Wernli, M., Caruso, D., Bodo, E. & Gianturco, F. A. Computing a Three-Dimensional Electronic Energy Manifold for the LiH + H ↔ Li + H2 Chemical Reaction. J. Phys. Chem. A 113, 1121–1128 (2009).
5. Roy, T. & Mahapatra, S. Quantum dynamics of H + LiH reaction and its isotopic variants. J. Chem. Phys. 136, 174313 (2012).
Cited by 15 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. New Diabatic Potential Energy Surfaces for the Li + H2 Reaction and Time-Dependent Quantum Wave Packet Studies;The Journal of Physical Chemistry A;2024-05-24
2. Quantum dynamics studies on the non-adiabatic effects of H + LiD reaction;Frontiers of Physics;2023-01-21
3. Effect of the reactant vibration on quantum dynamics of the reaction H + CH(v = 0,1,2, j = 0) → H2 + C based on a new CH2(X3A″) potential energy surface;Chemical Physics;2022-10
4. A study on the non-adiabatic dynamics of the Li(2p) + H2 → Li(2 s) + H2 quenching reaction calculated by time-dependent wavepacket method;Chemical Physics Letters;2021-10
5. State-to-state Rate Constants for the H + LiH(v 0 = 0, j 0 = 0) Reaction: An Accurate Nonadiabatic Dynamical Study;The Astrophysical Journal;2021-07-01
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