A comparison of the accuracy of different functionals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference28 articles.
1. Approximate density functional theory as a practical tool in molecular energetics and dynamics
2. GAUSSIAN 92/DFT;Frisch,1993
3. Density‐functional thermochemistry. III. The role of exact exchange
4. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
5. A modification of the Gaussian‐2 approach using density functional theory
Cited by 421 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. Solution studies, synthesis and antibacterial activity of Ga(III) complexes with bis-kojate derivatives;Journal of Inorganic Biochemistry;2024-10
2. Ab-initio investigation of the structural, electronic and optical properties of CsPbBr3 perovskite under pressure using the DFT-1/2 method;Physica B: Condensed Matter;2024-08
3. Enhancement of H2 physisorption in covalent organic Framework's linkers by Li-decoration;International Journal of Hydrogen Energy;2024-08
4. Impact of doping with organic dopants and mixed doping with alkali metals and organic dopants on the absorption, electronic, optoelectronic, thermodynamic and nonlinear optical properties of dibenzo[b,def]chrysene in gaseous media: DFT and TD-DFT studies;Journal of Molecular Modeling;2024-07-02
5. Mechanistic and kinetic insights of the formation of allene and propyne from the C3H3 reaction with water;Journal of Molecular Modeling;2024-06-24
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