Data for "A computational protocol combining DFT and cheminformatics for prediction of pH-dependent redox potentials"
Rocco Peter Fornari, Piotr de Silva · Figshare · 2021
Data published in the open access article "A computational protocol combining DFT and cheminformatics for prediction of pH-dependent redox potentials". Each file is named after the name of a figure in the article and contains the final calculation results used to generate the figure.All methodologies are described in the article.