Reinvestigation of the ordering of the low-lying electronic states of cyclobutanetetraone with CASPT2, CCSD(T), G3B3, ccCA, and CBS-QB3 calculations
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970802672650
Reference25 articles.
1. Very-Low-Lying Electronic States Result from n → π Excitations in Open-Shell Annulenes, Annelated with α-Dicarbonyl Groups
2. On the Stability of the Tetramers of Carbon Monoxide, Hydrogen Isocyanide, and Vinylidene. A Molecular Orbital Theoretical Rationalization
3. Stability of Tetraoxocyclobutane Revised: Perturbation Theory and Density Functional Scheme
4. Friedrich Hund and Chemistry
5. Violations of Hund's Rule in Non-Kekule Hydrocarbons: Theoretical Prediction and Experimental Verification
Cited by 25 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. Singlet–triplet excitation energies of substituted phenyl cations: a G4(MP2) and G4 theoretical study;Theoretical Chemistry Accounts;2016-02-27
2. Prediction of Thermochemical Properties Across the Periodic Table;Annual Reports in Computational Chemistry;2016
3. Ab initiocoupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone;Molecular Physics;2015-12-09
4. Theoretical Analysis of the Fragmentation of (CO)5: A Symmetry-Allowed Highly Exothermic Reaction that Follows a Stepwise Pathway;The Journal of Organic Chemistry;2015-09-16
5. B2N2O4: Prediction of a Magnetic Ground State for a Light Main-Group Molecule;Inorganic Chemistry;2015-08-14
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