Theoretical Study on Relationship Between Structure of Mercapto-Triazole Derivatives and Inhibition Performance
Relationships between corrosion inhibition efficiency of five kinds of mercapto-triazole inhibitors and their molecular electronic properties have been theoretically studied at the level of DFT/B3LYP with 6-31+G (d, p) base sets. Calculation results are discussed using linear regression analysis to...
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| Principais autores: | , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Elsevier
2012-08-01
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| Serija: | International Journal of Electrochemical Science |
| Teme: | |
| Online dostop: | http://www.sciencedirect.com/science/article/pii/S1452398123157737 |
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