Re-examination of atomization energies for the Gaussian-2 set of molecules
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.478747
Reference79 articles.
1. An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set
2. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
3. Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon
4. Benchmark calculations with correlated molecular wave functions. VI. Second row A2 and first row/second row AB diatomic molecules
5. On the performance of large Gaussian basis sets for the computation of total atomization energies
Cited by 274 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. Basis Set Extrapolation from the Vanishing Counterpoise Correction Condition;The Journal of Physical Chemistry A;2024-08-21
2. ZORA Basis Sets of 5 and 6 Zeta Valence Qualities for H-Ar: Application in Calculations of Atomic and Molecular Properties;Brazilian Journal of Physics;2024-04-24
3. On the performance of composite schemes in determining equilibrium molecular structures;Journal of Computational Chemistry;2024-03-07
4. Machine Learning K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Accurate and Efficient Cubic-Scaling Exact Exchange Plus Random Phase Approximation within Plane Waves;Journal of Chemical Theory and Computation;2024-02-16
5. Ab initio study of electronic states and radiative properties of the AcF molecule;The Journal of Chemical Physics;2023-09-22
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