Molecular modeling and quantitative structure–property relationships (QSPRs) of purine derivatives as corrosion inhibitor in acid medium
The corrosion inhibition potential of purine and its twelve derivatives was theoretically investigated. Their chemical descriptors: dipole moments, softness, electronegativity, chemical hardness, molecular weight in conjunction with the electronic parameters such as, EHOMO (highest occupied molecula...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-07-01
|
| Series: | Scientific African |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2468227620300740 |