Reference Label | Details |
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Karton 2007a | A. Karton, P. R. Taylor, and J. M. L. Martin, J. Chem. Phys. 127, 064104/1-11 (2007) Basis Set Convergence of Post-CCSD Contributions to Molecular Atomization Energies |
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 |
Karton 2009 | A. Karton, A. Tarnopolsky, and J. M. L. Martin, Mol. Phys. 107, 977-990 (2009) Atomization Energies of the Carbon Clusters Cn (n = 2-10) Revisited by Means of W4 Theory as well as Density Functional, Gn, and CBS Methods |