Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes
Author:
Affiliation:
1. Dipartimento di Scienze Fisiche e Chimiche, Università degli studi dell’Aquila, Via Vetoio (Coppito), 67100 L’Aquila, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00316
Reference61 articles.
1. Iron-, Cobalt-, and Nickel-Catalyzed Asymmetric Transfer Hydrogenation and Asymmetric Hydrogenation of Ketones
2. Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities
3. Transition metal catalysis in confined spaces
4. Metal–Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature
5. Towards high-efficiency nanoelectrocatalysts for oxygen reduction through engineering advanced carbon nanomaterials
Cited by 9 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. Unveiling the Low-Lying Spin States of [Fe3S4] Clusters via the Extended Broken-Symmetry Method;Molecules;2024-05-06
2. Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method;Journal of Chemical Theory and Computation;2022-12-07
3. The impacts of charge transfer, localization, and metallicity on hydrogen retention and transport capacity;International Journal of Hydrogen Energy;2022-05
4. Analysis of the Geometric and Electronic Structure of Spin-Coupled Iron–Sulfur Dimers with Broken-Symmetry DFT: Implications for FeMoco;Journal of Chemical Theory and Computation;2022-02-15
5. Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems;Journal of Chemical Theory and Computation;2021-09-27
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