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

Name: Data for article »On the alleged importance of the molecular electron-donating ability and the HOMO–LUMO gap in corrosion inhibition studies«
Creator: Anton Kokalj
Published: 2020-09-10T18:29:01.000Z
Keywords: DFT Method Application

Kokalj, Anton

doi:10.17632/w6gvdvd2c6.1

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

Published: 10 September 2020| Version 1 | DOI: 10.17632/w6gvdvd2c6.1

Contributor:

Anton Kokalj

Description

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.

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Institut Jozef Stefan

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

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