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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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Principais autores: Z. El Adnani, M. Mcharfi, M. Sfaira, A.T. Benjelloun, M. Benzakour, M. Ebn Touhami, B. Hammouti, M. Taleb
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2012-01-01
coleção:International Journal of Electrochemical Science
Assuntos:
Computational chemistry
Pyridazine
Corrosion inhibition
DFT
Descriptors
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S1452398123195149
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