One transition state leading to two product states: ab initio molecular dynamics simulations of the reaction of formaldehyde radical anion and methyl chloride
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference30 articles.
1. The single electron shift as a fundamental process in organic chemistry: the relationship between polar and electron-transfer pathways
2. J.-M. Savéant, in: D. Bethel (Ed.), Advances in Physical Organic Chemistry, Vol. 26, Academic Press, New York, 1990.
3. The SN2 and Single Electron Transfer Concepts. A Theoretical and Experimental Overview.
4. Electron-transfer reactions of radical anions: do they follow outer- or inner-sphere mechanisms?
5. Electron transfer vs polar mechanisms. Transition-state structures and properties for reactions of a cation radical and a nucleophile
Cited by 54 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. Computational study on the bifurcation mechanism in the H2CO− + CH3Cl →CH3CH2O + Cl−/H2CO + CH3 + Cl− reaction: The importance of intramolecular vibrational redistributions;Computational and Theoretical Chemistry;2024-10
2. Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill Bifurcation;Journal of Chemical Theory and Computation;2024-02-05
3. Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations;Journal of Chemical Theory and Computation;2023-04-17
4. Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels–Alder Reaction;Journal of Chemical Theory and Computation;2022-01-31
5. Exploring paths of chemical transformations in molecular and periodic systems: An approach utilizing force;WIREs Computational Molecular Science;2021-05-03
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