Theoretical study of copper corrosion prevention by terpenoid green inhibitors of thymol, carvacrol, and thymohydroquinone
Electronic parameters have been used to predict the corrosion inhibition performance of the green inhibitors of thymol, carvacrol, and thymohydroquinone against copper. Molecular modeling was carried out at the density functional and ab initio levels and Monte Carlo molecular dynamics. Tymohydroquin...
| Main Authors: | , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | English |
| Publicado: |
EDP Sciences
2024-01-01
|
| Series: | E3S Web of Conferences |
| Acceso en liña: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2024/11/e3sconf_icschem2024_05004.pdf |