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Jump to: Article Articlevon Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2020) Rapid and accurate molecular deprotonation energies from quantum alchemy. Physical Chemistry Chemical Physics, 22 (19). 10519 -10525 . von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2018) Alchemical perturbation density functional theory. Chemical physics. pp. 1-6. |