Bond orders and valences: Role of d-orbitals for hypervalent sulphur
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference18 articles.
1. Investigation of the basis of the valence shell electron pair repulsion model by ab initio calculation of geometry variations in a series of tetrahedral and related molecules
2. Ab initioMO calculations for the oxides, oxyacids, and oxyanions of S(IV) and S(VI)
3. The propagation of basis set error and geometry optimization in ab initio calculations. A statistical analysis of the sulfur d‐orbital problem
4. Charge, bond order and valence in the AB initio SCF theory
Cited by 109 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. Mechanisms for deNOx and deN2O Processes on FAU Zeolite with a Bimetallic Cu-Fe Dimer in the Presence of a Hydroxyl Group—DFT Theoretical Calculations;Molecules;2024-05-15
2. Comparison of the Mechanisms of deNOx and deN2O Processes on Bimetallic Cu–Zn and Monometallic Cu–Cu Dimers in Clinoptilolite Zeolite—A DFT Study Simulating Industrial Conditions;Catalysts;2023-08-14
3. Change in the Nature of ZSM-5 Zeolite Depending on the Type of Metal Adsorbent—The Analysis of DOS and Orbitals for Iron Species;International Journal of Molecular Sciences;2023-02-08
4. The effect of the presence of a hydroxyl group on the vibration frequencies of NO and NH3 adsorbates on Cu-Zn bimetallic nanoparticles in ZSM-5 and FAU zeolite – a DFT study;Journal of Molecular Structure;2022-05
5. Theoretical Studies on the Mechanism of deNOx Process in Cu–Zn Bimetallic System—Comparison of FAU and MFI Zeolites;Molecules;2022-01-04
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