Role of Standard Diffuse Functions for Computing Hyperfine Splitting Constants in Radical Anions
Author:
Affiliation:
1. I.Co.C.E.A. Consiglio Nazionale delle Ricerche, Via Gobetti 101, 40129 Bologna, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp990012a
Reference40 articles.
1. Ab initio quadratic configuration interaction calculations of isotropic hyperfine coupling constants
2. MO study of the effect of substituents on the properties of localized organic and organometallic radicals
3. Efficient Prediction of Isotropic Hyperfine Coupling in Radicals Containing Phosphorus. A Systematic Comparison of UHF, PUHF, and UMP2 Spin Densities
4. Calculation of the electronic structures and spectra of several organic and inorganic radicals containing aluminum
5. Hyperfine Splitting in N4+ from ab Initio Calculation
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. Main group cyanides: from hydrogen cyanide to cyanido-complexes;Reviews in Inorganic Chemistry;2022-09-21
2. Proton-coupled electron transfer in dye-sensitized solar cells: a theoretical perspective;Structural Chemistry;2018-01-25
3. Crucial Role of Solvent-Impacted Molecular Anionic Resonances in Controlling Protonation Modes in the Acetonitrile–Water Anionic Cluster Revealed by ab Initio Molecular Dynamics Simulations;The Journal of Physical Chemistry A;2014-05-22
4. Solvent Effect on the Potential Energy Surfaces for the One-Electron Reduction of CF3X (X = Cl, Br, I) Molecules: A DFT PCM Study;The Journal of Physical Chemistry A;2012-11-14
5. Cyclooctatetraene dianion-an artifact?;Journal of Computational Chemistry;2011-01-27
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