Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–Zn
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2896084
Reference59 articles.
1. Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn
2. Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods
3. W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range
4. A Road Map for the Calculation of Molecular Binding Energies
5. Predicting the Heats of Formation of Model Hydrocarbons up to Benzene
Cited by 21 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. Comment on “Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided”;The Journal of Physical Chemistry A;2024-08-27
2. Stability Trends in disubstituted Cobaltocenium Based on the Analysis of the Machine Learning Models;The Journal of Physical Chemistry A;2023-11-28
3. PDG: A Composite Method Based on the Resolution of the Identity;The Journal of Physical Chemistry A;2021-10-18
4. Capturing Many-Body Interactions with Classical Dipole Induction Models;Journal of Chemical Theory and Computation;2017-05-12
5. Prediction of Bond Dissociation Energies/Heats of Formation for Diatomic Transition Metal Compounds: CCSD(T) Works;Journal of Chemical Theory and Computation;2017-01-27
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