Chemical reactivity indexes in density functional theory
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference223 articles.
1. Approximate density functional theory as a practical tool in molecular energetics and dynamics
2. Numerical solution of Schrödinger’s equation in polyatomic molecules
3. Inhomogeneous Electron Gas
4. Self-Consistent Equations Including Exchange and Correlation Effects
Cited by 1242 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. Understanding the hydrogen bonding preferences and dynamics of prontosil in water and methanol;Chemical Physics Impact;2024-06
2. An antibacterial lead identification of novel 1,3,4-oxadiazole derivatives based on molecular computer aided design approaches;Scientific African;2024-03
3. Synthesis, antimicrobial, DFT, and in silico pharmacokinetic profiling of nitroaldol quinoline derivatives: A comprehensive exploration for designing potential oral antibacterial agents targeting DNA-gyrase;Journal of Molecular Structure;2024-03
4. A multi-scale assessment of the impact of salinity on the desorption of chromate from hematite: Sea level rise implications;Journal of Hazardous Materials;2024-03
5. Exploring diorganotin(IV) complexes of hydrazone based ligands as multi-target agents: Synthesis, structural characterization, DFT and in vitro biological evaluation;Inorganic Chemistry Communications;2024-03
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