Ground state spin of some molecules with unusual hückel molecular orbital degeneracy
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Reference7 articles.
1. Unusual hückel molecular orbital degeneracy or some non-alternant, no-kekulé molecules
2. Closed-shell biradical structures
3. Multiplicity of the ground state of large alternant organic molecules with conjugated bonds
4. An extension of the Coulson-Rushbrooke-Longuet-Higgins theorem
5. Effects of electron repulsion in conjugated hydrocarbon diradicals
Cited by 21 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. Benchmarking the semi-stochastic CC(P;Q) approach for singlet–triplet gaps in biradicals;The Journal of Chemical Physics;2022-10-07
2. Challenging compounds for calculating molecular second hyperpolarizabilities: the triplet state of the trimethylenemethane diradical and two derivatives;Physical Chemistry Chemical Physics;2016
3. Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices;Molecular Physics;2014-03-04
4. Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions;The Journal of Chemical Physics;2013-05-21
5. Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet–Triplet Gaps in Biradical Systems;Journal of Chemical Theory and Computation;2012-11-07
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