Semiempirical Theoretical Studies of 1,3-Benzodioxole Derivatives as Corrosion Inhibitors
The efficiency of 1,3-benzodioxole derivatives as corrosion inhibitors is theoretically studied using quantum chemical calculation and Quantitative Structure Activity Relationship (QSAR). Different semiempirical methods (AM1, PM3, MNDO, MINDO/3, and INDO) are applied in order to determine the relati...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2017-01-01
|
| Series: | International Journal of Corrosion |
| Online Access: | http://dx.doi.org/10.1155/2017/8915967 |