Computational data for the article »Corrosion inhibitors: physisorbed or chemisorbed?«
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资源简介：
This dataset contains Quantum ESPRESSO input and output files for reproducing the example-1 (in particular electron charge density differences) presented in the article entitled "Corrosion inhibitors: physisorbed or chemisorbed?" by Anton Kokalj that was submitted for publication in Corrosion Science.
The zip file unzips into the folder MendeleyData. Please read the README.txt file therein for further description of files.
创建时间：
2021-11-04
