Browse by Basel Contributors ID
2020von 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 . 2018von Rudorff, Guido Falk and von Lilienfeld, O. Anatole. (2018) Alchemical perturbation density functional theory. Chemical physics. pp. 1-6. |