Classical versus quantum vibrational state distributions for the benchmark polyatomic reaction OH+D2: Checking the validity of the QCT method
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference45 articles.
1. Molecular Reaction Dynamics;Levine,2005
2. The dynamics of the reaction OH + D2 → HOD + D: Crossed beam experiments and quantum mechanical scattering calculations on ab initio potential energy surfaces
3. New Potential Energy Function for Four-Atom Reactions. Application to OH + H2
4. Mode-Specific Energy Disposal in the Four-Atom Reaction OH + D 2 → HOD + D
5. Quantum scattering and quasi-classical trajectory calculations for the H2+OH ⇌ H2O+H reaction on a new potential surface
Cited by 11 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. First-principles mode-specific reaction dynamics;Physical Chemistry Chemical Physics;2024
2. The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface;The Journal of Chemical Physics;2023-09-26
3. Vibrational and Rotational Gaussian Binning selections on QCT calculations for the OH + D2 → HOD((vHO’, vHOD’, vOD’), J’) + D reaction;Chemical Physics;2021-11
4. Rethinking the description of water product in polyatomic OH/OD + XH (X ≡ D, Br, NH2 and GeH3) reactions: theory/experimental comparison;Theoretical Chemistry Accounts;2020-03
5. Dynamics and Novel Mechanisms of SN2 Reactions on ab Initio Analytical Potential Energy Surfaces;The Journal of Physical Chemistry A;2017-10-23
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