Evaluation of Range-Separated Hybrid and Other Density Functional Approaches on Test Sets Relevant for Transition Metal-Based Homogeneous Catalysts
Author:
Affiliation:
1. Department of Chemistry, Rice University, Houston, Texas 77005
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp902879m
Reference100 articles.
1. Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]
2. Cyclizations of Enynes Catalyzed by PtCl2 or Other Transition Metal Chlorides: Divergent Reaction Pathways
3. Why Are BINOL-Based Monophosphites Such Efficient Ligands in Rh-Catalyzed Asymmetric Olefin Hydrogenation?
4. Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
Cited by 50 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. Chelate Complexes of 3d Transition Metal Ions─A Challenge for Electronic-Structure Methods?;Journal of Chemical Theory and Computation;2024-05-28
2. Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set;Journal of Chemical Theory and Computation;2023-11-09
3. Low-energy electron interaction and focused electron beam-induced deposition of molybdenum hexacarbonyl (Mo(CO)6);Beilstein Journal of Nanotechnology;2022-02-04
4. Mechanistic views and computational studies on transition-metal-catalyzed reductive coupling reactions;Chemical Society Reviews;2022
5. Structural Effects on Dioxygen Evolution from Ru(V)−Oxo Complexes;European Journal of Inorganic Chemistry;2021-09-06
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