Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 1. Accurate Thermochemistry and Barrier Heights
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp110024e
Reference82 articles.
1. The flow reactor oxidation of C1−C4 alcohols and MTBE
2. Catalytic conversion of alcohols to alkenes by OH
3. Some New Observations on Methanol Oxidation Chemistry
4. Toward a comprehensive mechanism for methanol pyrolysis
5. Uncertainty driven theoretical kinetics studies for CH3OH ignition: HO2+CH3OH and O2+CH3OH
Cited by 97 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. Ab initio kinetics of OH-initiated oxidation of naphthalene: A comprehensive revisited study;Atmospheric Environment;2024-04
2. Accurate Kinetics of Cyclization Reactions of the Large-Size Hydroperoxy Methyl-Ester Radicals Investigated by the Isodesmic Reaction Correction Method;The Journal of Physical Chemistry A;2023-11-28
3. Methanol oxy-combustion and supercritical water oxidation: A ReaxFF molecular dynamics study;Energy;2023-11
4. Multistructural torsional anharmonicity and pressure-dependent kinetic studies on methanol/ethanol reaction with amino radical: Implication for combustion modeling;Combustion and Flame;2023-08
5. Reactions of Methyl Radicals with Aniline Acting as Hydrogen Donors and as Methyl Radical Acceptors;ACS Omega;2023-05-01
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