Comment on "Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided".
作者信息
Gray Montgomery, Bowling Paige E, Herbert John M
机构信息
Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States.
Biophysics Graduate Program, The Ohio State University, Columbus, Ohio 43210, United States.
出版信息
J Phys Chem A. 2024 Sep 12;128(36):7739-7745. doi: 10.1021/acs.jpca.4c00283. Epub 2024 Aug 27.
PMID:39190891
Abstract
摘要
Zotero 插件