Supporting Information for the Journal Article "The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms"
Stephanie A. Grimmel, Markus Reiher · Zenodo (CERN European Organization for Nuclear Research) · 2019
This dataset contains the supporting information published together with the article "The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms" (Faraday Discuss., 2019, 220, 443).