Molecular dynamics of the two-stage mechanism of cyclopentadiene dimerization: concerted or stepwise?
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference27 articles.
1. The mechanism of the Diels-Alder reaction;Woodward;Tetrahedron,1959
2. The conservation of orbital symmetry;Woodward;Angew. Chem. Int. Ed.,1969
3. Pericyclic reaction transition states: Passions and punctilios, 1935–1995;Houk;Acc. Chem. Res.,1995
4. An unexpected bispericyclic transition structure leading to 4+ 2 and 2+ 4 cycloadducts in the endo dimerization of cyclopentadiene;Caramella;J. Am. Chem. Soc.,2002
5. Bifurcations on potential energy surfaces of organic reactions;Ess;Angew. Chem. Int. Ed.,2008
Cited by 30 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. Molecular Dynamics Investigations of Dienolate [4 + 2] Reactions;Journal of the American Chemical Society;2024-04-29
3. Ambimodal Addition-Coupled Electron Transfer Mechanism in a Pb(IV)-Promoted Oxidative Dearomatization Reaction;The Journal of Organic Chemistry;2023-12-15
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