Unrestricted Hartree–Fock (UHF) calculations of singlet and triplet diradicals: Nitrene peroxide (HNOO)
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference16 articles.
1. The electronic structures of biradicals in the unrestricted Hartree-Fock approximation
2. Electronic structures of antiaromatic molecules
3. Generalized valence bond description of bonding in low-lying states of molecules
4. Mechanisms of gas-phase and liquid-phase ozonolysis
5. A molecular-orbital theoretical classification of reactions of singlet ground-state molecules
Cited by 28 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. Unusual In-plane Aromaticity Facilitates Intramolecular Hydrogen Transfer in Long-Bonded cis-Isonitrosyl Methoxide;The Journal of Physical Chemistry A;2022-09-01
2. Isolobal and isospin analogy between organic and inorganic open-shell molecules—Application to oxygenation reactions by active oxygen and oxy-radicals and water oxidation in the native and artificial photosynthesis;Advances in Quantum Chemistry;2021
3. Systematic Approach to Electron Correlation via Spin-symmetry Breaking and Restoration;Molecular Science;2020
4. Full-valence density matrix renormalisation group calculations on meta-benzyne based on unrestricted natural orbitals. Revisit of seamless continuation from broken-symmetry to symmetry-adapted models for diradicals;Molecular Physics;2017-06-23
5. The chemistry of nitroso oxides;PATAI'S Chemistry of Functional Groups;2014-09-17
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