Computational data for the article »How adsorbed H, O, OH, and Cl affect plain adsorption of imidazole on copper« by Matjaž Dlouhy and Anton Kokalj
Published: 16 June 2022| Version 1 | DOI: 10.17632/f7nh4vt8k5.1
This dataset contains computational data that were generated from scratch for the manuscript entitled »How adsorbed H, O, OH, and Cl affect plain adsorption of imidazole on copper« by Matjaž Dlouhy and Anton Kokalj which was accepted for publication in Corrosion Science. In particular, it contains Quantum ESPRESSO input/output files. The zip file unzips into the folder: MendeleyData. Please read the README.txt file therein for further descriptions of the files.
Institut Jozef Stefan
DFT Method Application