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Geerlings, P. and De Proft, F. (2002) Chemical Reactivity as Described by Quantum Chemical Methods. International Journal of Molecular Sciences, 3, 276-309.
http://dx.doi.org/10.3390/i3040276

has been cited by the following article:

• TITLE: Origanum majorana Extracts as Mild Steel Corrosion Green Inhibitors in Aqueous Chloride Medium

  AUTHORS: Hassen Challouf, Nébil Souissi, Mhamed Ben Messaouda, Rym Abidi, Adel Madani

  KEYWORDS: Origanum majorana, Corrosion, Inhibition, Mild Steel, NaCl

  JOURNAL NAME: Journal of Environmental Protection, Vol.7 No.4, March 23, 2016

  ABSTRACT: We optimized Origanum majorana (OM) extraction for mild steel corrosion inhibition in neutral 0.5 M chloride medium. The inhibition mechanism evolved in presence of the optimal extract was discussed when calculating the activation energy (Ea), the activation enthalpy (ΔaH) as well as the activation entropy (ΔaS). The OM extract molecules were investigated using the density functional theory (DFT) at B3LYP/6-31G(d,p) basis set level. 1-methyl-4-propan-2-ylcyclohexa-1,3-diene alpha-terpinene was predicted exhibiting the most inhibition capabilities.