DFT Study of C–C and C–N Coupling on a Quintuple-Bonded Cr2 Template: MECP (Minimum Energy Crossing Point) Barriers Control Product Distribution
Author:
Affiliation:
1. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
Funder
Science and Engineering Research Board
Indian Institute of Science
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.organomet.9b00841
Reference57 articles.
1. Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations
2. Broken Symmetry DFT Calculations/Analysis for Oxidized and Reduced Dinuclear Center in Cytochrome c Oxidase: Relating Structures, Protonation States, Energies, and Mössbauer Properties in ba3 Thermus thermophilus
3. Two-State Reactivity in Low-Valent Iron-Mediated C–H Activation and the Implications for Other First-Row Transition Metals
4. Distinctive Reaction Pathways at Base Metals in High-Spin Organometallic Catalysts
5. A Theory for Bioinorganic Chemical Reactivity of Oxometal Complexes and Analogous Oxidants: The Exchange and Orbital-Selection Rules
Cited by 5 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. The acylation with aldehydes via dual C-H activations by combining photocatalysis and palladium catalysis;Molecular Catalysis;2023-11
2. Rate-Limiting Spin Crossover and Cp Ligand Involvement During Ir(III) Retro-Hydroformylation Catalysis;ACS Catalysis;2023-08-03
3. Orbital Engineering in Chemistry;Israel Journal of Chemistry;2021-12-18
4. Comparison of RNC Coupling and CO Coupling Mediated by Cr–Cr Quintuple Bond and B–B Multiple Bonds: Main Group Metallomimetics;The Journal of Physical Chemistry A;2021-08-17
5. Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors;The Journal of Chemical Physics;2021-06-07
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