Neural network potential energy surface for the low temperature ring polymer molecular dynamics of the H2CO + OH reaction
Author:
Affiliation:
1. Unidad Asociada UAM-CSIC, Departamento de Química Física Aplicada, Facultad de Ciencias M-14, Universidad Autónoma de Madrid, 28049 Madrid, Spain
2. Instituto de Física Fundamental (IFF-CSIC), CSIC, Serrano 123, 28006 Madrid, Spain
Funder
Red española de supercomputación
Ministerio de Ciencia e innovaciín
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0044009
Reference89 articles.
1. Accelerated chemistry in the reaction between the hydroxyl radical and methanol at interstellar temperatures facilitated by tunnelling
2. Low Temperature Kinetics of the CH3OH + OH Reaction
3. Measurements of Rate Coefficients for Reactions of OH with Ethanol and Propan-2-ol at Very Low Temperatures
4. REACTIVITY OF OH AND CH3OH BETWEEN 22 AND 64 K: MODELING THE GAS PHASE PRODUCTION OF CH3O IN BARNARD 1b
5. Is the Gas-phase OH+H2CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling Study
Cited by 22 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. Revisiting a Chemical Route to the Formation of CN− in the Interstellar Medium;The Astrophysical Journal;2024-09-01
2. Dynamics of the Decomposition of Gas Molecules Containing Sulfur and Nitrogen from Char-S and Char-N Structures in Combustion and Pyrolysis Reactions;Combustion Science and Technology;2024-06-12
3. Quantum study of the CH3+ photodissociation in full-dimensional neural network potential energy surfaces;The Journal of Chemical Physics;2024-05-13
4. Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels–Alder cycloaddition between cyclobutadiene and butadiene;Computational and Theoretical Chemistry;2023-09
5. Machine learning‐assisted study of correlation between post‐transition‐state bifurcation and initial phase information at the ambimodal transition state;Journal of Physical Organic Chemistry;2023-08-16
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