Complete active space analysis of a reaction pathway: Investigation of the oxygen–oxygen bond formation
Author:
Affiliation:
1. Institut für Chemie, Universität Zürich Zürich Switzerland
Funder
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26201
Reference89 articles.
1. A synthetic Mn 4 Ca-cluster mimicking the oxygen-evolving center of photosynthesis
2. Synthetic model of the asymmetric [Mn3CaO4] cubane core of the oxygen-evolving complex of photosystem II
3. A Synthetic Model of the Mn 3 Ca Subsite of the Oxygen-Evolving Complex in Photosystem II
4. Closer to Photosystem II: A Co4O4 Cubane Catalyst with Flexible Ligand Architecture
5. 3d–4f {CoII3Ln(OR)4} Cubanes as Bio-Inspired Water Oxidation Catalysts
Cited by 7 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. Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions;Journal of Chemical Theory and Computation;2024-07-15
2. How does multi-reference computation change the catalysis chemistry? DFT and CASPT2 studies of the Cu-catalysed coupling reactions between aryl iodides and β-diketones;Physical Chemistry Chemical Physics;2023
3. Modeling of solid-liquid interfaces for water splitting catalysis;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2023
4. Ab Initio Methods in First‐Row Transition Metal Chemistry;European Journal of Inorganic Chemistry;2022-04-05
5. How ab initio Molecular Dynamics Can Change the Understanding on Transition Metal Catalysed Water Oxidation;CHIMIA;2021-03-31
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