Investigation of Newly Pyridazine Derivatives as Corrosion Inhibitors in Molar hydrochloric Acid. Part III: Computational Calculations

Quantum chemical calculations, based on DFT methods at B3LYP/6-31G** level of theory, were performed, by means of the GAUSSIAN 03 set of programs, on four recognized pyridazine compounds as corrosion inhibitors in acidic media. The objective of this work is to attempt to find relationships between t...

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Hlavní autoři:	Z. El Adnani, M. Mcharfi, M. Sfaira, A.T. Benjelloun, M. Benzakour, M. Ebn Touhami, B. Hammouti, M. Taleb
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Elsevier 2012-01-01
Edice:	International Journal of Electrochemical Science
Témata:	Computational chemistry Pyridazine Corrosion inhibition DFT Descriptors
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S1452398123195149
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