A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake
出版年份 2021 全文链接
标题
A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake
作者
关键词
-
出版物
MOLECULES
Volume 26, Issue 16, Pages 5058
出版商
MDPI AG
发表日期
2021-08-23
DOI
10.3390/molecules26165058
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