Reference Label | Details |
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Parthiban 2001 | S. Parthiban and J. M. L. Martin, J. Chem. Phys. 114, 6014-6029 (2001) Assessment of W1 and W2 Theories for the Computation of Electron Affinities, Ionization Potentials, Heats of Formation, and Proton Affinities |
Boese 2004 | A. D. Boese, M. Oren, O. Atasoylu, J. M. L. Martin, M. Kállay, and J. Gauss, J. Chem. Phys. 120, 4129-4141 (2004) W3 Theory: Robust Computational Thermochemistry in the kJ/mol Accuracy Range |