A SA-CASSCF and MS-CASPT2 study on the electronic structure of nitrosobenzene and its relation to its dissociation dynamics
Author:
Affiliation:
1. Institut des Sciences Moléculaires d’Orsay (ISMO) - UMR 8214, Université Paris-Saclay, 91405 Orsay Cedex, France
2. Department of Physical Chemistry, Faculty of Science, University of Málaga, Andalucía Tech., E-29071 Málaga, Spain
Funder
Junta de Andalucía/FEDER Founds
Junt de Andalucía/FEDER Founds
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0033181
Reference69 articles.
1. Rich chemistry of nitroso compounds
2. Addition, Reduction, and Oxidation Reactions of Nitrosobenzene
3. Synthesis of nitrosobenzene via photocatalytic oxidation of aniline over MgO/TiO2 under visible light irradiation
4. Pathways and kinetic energy disposal in the photodissociation of nitrobenzene
5. Photodissociation of Nitrosobenzene and Decomposition of Phenyl Radical
Cited by 8 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. Testing of black-carrots-derived fluorescence imaging and anti-metastatic potential;Journal of Molecular Structure;2024-03
2. Identification of the Photoreactive Species of Protonated N-Nitrosopiperidine in Acid Medium: A CASPT2 and DFT Study;The Journal of Physical Chemistry A;2023-11-10
3. CASPT2 study of the electronic structure and photochemistry of protonated N-nitrosodimethylamine (NDMA-H+) at 453 nm;The Journal of Chemical Physics;2023-05-25
4. Nanoporous Alumina Support Covered by Imidazole Moiety–Based Ionic Liquids: Optical Characterization and Application;Nanomaterials;2022-11-23
5. Photochemistry of 1-Phenyl-1-diazopropane and Its Diazirine Isomer: A CASSCF and MS-CASPT2 Study;The Journal of Physical Chemistry A;2022-11-06
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