On the Innocence of Bipyridine Ligands: How Well Do DFT Functionals Fare for These Challenging Spin Systems?
Author:
Affiliation:
1. Computational Chemistry Unit, Department of Chemical Research Support, Weizmann Institute of Science, Rehovot, Israel 76100
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct400913z
Reference150 articles.
1. Discovery of Environmentally Benign Catalytic Reactions of Alcohols Catalyzed by Pyridine-Based Pincer Ru Complexes, Based on Metal–Ligand Cooperation
2. Metal–Ligand Cooperation by Aromatization–Dearomatization: A New Paradigm in Bond Activation and “Green” Catalysis
3. Applications of Acceptorless Dehydrogenation and Related Transformations in Chemical Synthesis
4. Synthesis and characterization of some rhenium complexes with the new mixed phosphorus–nitrogen donor ligand NPh(CH2CH2PPh2)2
Cited by 33 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. Static theoretical investigations of organic redox active materials for redox flow batteries;Progress in Energy;2023-12-08
2. Low Oxidation State Cobalt Center Stabilized by a Covalent Organic Framework to Promote Hydroboration of Olefins;ACS Catalysis;2023-02-15
3. Operando Elucidation on the Working State of Immobilized Fluorinated Iron Porphyrin for Selective Aqueous Electroreduction of CO2 to CO;ACS Catalysis;2021-05-19
4. Replacing hybrid density functional theory: motivation and recent advances;Chemical Society Reviews;2021
5. Homoleptic tris(6,6′-dimethyl-2,2′-bipyridine) rare earth metal complexes;Inorganic Chemistry Frontiers;2021
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