Optimized Structures of Bimetallic Systems: A Comparison of Full- and Broken-Symmetry Density Functional Calculations
Author:
Affiliation:
1. Department of Chemistry, Faculties, and Research School of Chemistry, The Australian National University, Canberra, ACT 0200, Australia
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ic951564k
Reference38 articles.
1. M2L9 complexes
2. Magnetic exchange in transition metal complexes. 12. Calculation of cluster exchange coupling constants with the X.alpha.-scattered wave method
3. The structure of trimethylphenylammonium nonachlorodirhodate(III) and a survey of metal-metal interactions in confacial bioctahedra
4. Role of the trigonal t2e2-nen single-ion configuration in d3d3 metal-metal .sigma.-bonded dimers
Cited by 72 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. Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate Complexes;The Journal of Physical Chemistry A;2022-05-23
2. Energy decomposition analysis based on broken symmetry unrestricted density functional theory;The Journal of Chemical Physics;2019-12-28
3. Computational study of the [(CO)2(benzoate)MII/III(terephthalate)]0/1+ complexes with M = V, Cr, Mn, Fe and Co;Computational and Theoretical Chemistry;2019-05
4. Redox-Dependent Metal−Metal Bonding in Trinuclear Metal Chains: Probing the Transition from Covalent Bonding to Exchange Coupling;Chemistry - A European Journal;2017-12-28
5. RETRACTED: DFT challenge of intermetallic interactions: From metallophilicity and metallaromaticity to sextuple bonding;Coordination Chemistry Reviews;2017-08
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