Consistent structures and interactions by density functional theory with small atomic orbital basis sets
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4927476
Reference136 articles.
1. Nobel Lecture: Electronic structure of matter—wave functions and density functionals
2. Density Functionals with Broad Applicability in Chemistry
3. Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics
4. Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
Cited by 669 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. Structures and stabilities Ru-doped Ag (n = 1–13) clusters: Ag10Ru a 18-ve cluster superatom;Inorganica Chimica Acta;2025-01
2. The overlooked role of different Fe-N4Cx configuration in single atom catalyst for efficient peroxymonosulfate activation;Applied Catalysis B: Environment and Energy;2024-11
3. Efficient density functional theory directed identification of siderophores with increased selectivity towards indium and germanium;Journal of Hazardous Materials;2024-10
4. Salicylatocopper(II) complexes with 2-(hydroxymethyl)benzimidazole: Solvent-controlled conformational polymorphism;Polyhedron;2024-10
5. PyRAMD Scheme: A Protocol for Computing the Infrared Spectra of Polyatomic Molecules Using ab Initio Molecular Dynamics;Spectroscopy Journal;2024-09-13
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