An ab initio potential energy surface for the reaction CH4 → CH3 + H
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference12 articles.
1. Sensitivity of the H + CH3 → CH4 recombination rate constant to the shape of the CH stretching potential
2. A dynamical study of the H+CH3→CH4 recombination reaction
3. W.L. Hase and R.J. Duchovic, to be published.
4. Monte Carlo transition‐state theory: XH4→XH3+H (X=C, Si)
5. Monte Carlo transition‐state study of angular momentum effects on the unimolecular dissociation of CH4 on the Duchovic–Hase–Schlegel ab initio surface
Cited by 61 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. Force-field-enhanced neural network interactions: from local equivariant embedding to atom-in-molecule properties and long-range effects;Chemical Science;2023
2. Global Analytical Potential Energy Surfaces for High-resolution Molecular Spectroscopy and Reaction Dynamics;Handbook of High-resolution Spectroscopy;2011-09-15
3. Second-order generalized Van Vleck perturbation theory calculations of potential energy curves for the dissociation of the C–H bond in methane;Molecular Physics;2007-10-10
4. Ab initio methods for reactive potential surfaces;Physical Chemistry Chemical Physics;2007
5. Predictive Theory for Hydrogen Atom−Hydrocarbon Radical Association Kinetics;The Journal of Physical Chemistry A;2005-04-22
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