Data for article »On the alleged importance of the molecular electron-donating ability and the HOMO–LUMO gap in corrosion inhibition studies«

This dataset contains the raw computational data required to reproduce the findings of the manuscript entitled »On the alleged importance of the molecular electron-donating ability and the HOMO–LUMO gap in corrosion inhibition studies« by A. Kokalj, submitted to Corrosion Science (2020). The zip file unzips into the folder "Kokalj_Data". Please read the file "README.txt" therein for further description of the files.