Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics†

标题
Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics†
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 112, Issue 50, Pages 12868-12886
出版商
American Chemical Society (ACS)
发表日期
2008-08-20
DOI
10.1021/jp801805p

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