Chemical potential and reaction electronic flux in symmetry controlled reactions. - Stefan Vogt-Geisse; Alejandro Toro-Labbé (J. Comput. Chem., 2016)

Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions. - Oscar A. Douglas-Gallardo; David Adrian Saez; Stefan Vogt-Geisse; Esteban Vöhringer-Martinez (J. Comput. Chem., 2019)

Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions. - Duván González; Luis Macaya; Carlos Castillo-Orellana; Toon Verstraelen; Stefan Vogt-Geisse; Esteban Vöhringer-Martinez (J. Chem. Inf. Model., 2022)