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|---|---|
| Karton 2006 | A. Karton, E. Rabinovich, J. M. L. Martin, and B. Ruscic, J. Chem. Phys. 125, 144108/1-17 (2006) W4 Theory for Computational Thermochemistry: In Pursuit of Confident sub-kJ/mol Predictions |
| Karton 2008 | A. Karton, A. Tarnopolsky, J.-F. Lamere, G. C. Schatz, and J. M. L. Martin, J. Phys. Chem. A 112, 12868-12886 (2008) 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 |