Quantum Chemical Study on the Corrosion Inhibition of Some Oxadiazoles

Quantum chemical calculations based on DFT method were performed on three nitrogen-bearing heterocyclic compounds used as corrosion inhibitors for the mild steel in acid media to determine the relationship between the molecular structure of inhibitors and inhibition efficiency. The structural parame...

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Bibliographic Details
Main Authors: Hong Ju, Li Ding, Can Sun, Jie-jing Chen
Format: Article
Language:English
Published: Wiley 2015-01-01
Series:Advances in Materials Science and Engineering
Online Access:http://dx.doi.org/10.1155/2015/519606
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