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
Author:
Affiliation:
1. Department of Organic Chemistry, Weizmann Institute of Science, IL-76100 Rechovot, Israel, and Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Il 60208-3113
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp801805p
Reference130 articles.
1. Double-Hybrid Functionals for Thermochemical Kinetics
2. Doubly Hybrid Meta DFT: New Multi-Coefficient Correlation and Density Functional Methods for Thermochemistry and Thermochemical Kinetics
3. Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics
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