Stereoelectronic Substituent Effects in Saturated Main Group Molecules: Severe Problems of Current Kohn−Sham Density Functional Theory
Author:
Affiliation:
1. Theoretische Organische Chemie, Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, D-48149 Münster, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct600224b
Reference32 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. A Chemist's Guide to Density Functional Theory
3. Helium dimer dispersion forces and correlation potentials in density functional theory
Cited by 76 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. Effect of binding pockets on the kinetics and thermodynamics of Diels-alder reaction in cucurbit-Uril family;Journal of Molecular Structure;2024-01
2. Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds;Accounts of Chemical Research;2023-12-15
3. Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT;Journal of Chemical Information and Modeling;2022-09-16
4. Difficulties of Popular Density Functionals to Describe the Conformational Isomerism in Iodoacetic Acid;The Journal of Physical Chemistry A;2020-06-21
5. Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors;Journal of Chemical Theory and Computation;2020-04-22
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