On the performance of large Gaussian basis sets for the computation of total atomization energies
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.463855
Reference44 articles.
1. Basis set selection for molecular calculations
2. Atomic Natural Orbital (ANO) Basis Sets for Quantum Chemical Calculations
3. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry
4. Electron Correlation Techniques in Quantum Chemistry: Recent Advances
5. Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
Cited by 114 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. Pressure Dependence of Rate Coefficients of Unimolecular and Chemical Activation Reactions Connected to the Potential Energy Wells of Si2H2Cl4, Si2Cl6, and Si2Cl4 via Rice–Ramsperger–Kassel–Marcus Calculations;The Journal of Physical Chemistry A;2022-11-13
2. Scale-free-modeling (harmonic) vibrational frequencies: Assessing accuracy and cost-effectiveness by CBS extrapolation;The Journal of Chemical Physics;2022-11-07
3. Experimental and computational studies of the kinetics of the reaction of hydrogen peroxide with the amidogen radical;The Journal of Chemical Physics;2022-07-07
4. Pressure dependence of rate coefficients of unimolecular and chemical activation reactions connected to the potential energy wells of chlorinated monosilanes by RRKM calculations;International Journal of Chemical Kinetics;2021-05-17
5. Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies;The Journal of Chemical Physics;2021-01-28
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