Ghassab M. Al-Mazaideh, Taher S. Ababneh, Khalid H. Abu-Shandi, Rasheed M. A. Q. Jamhour, Haya J. Ayaal Salman, Ashraf M. Al-Msiedeen, Salim M. Khalil
DFT-B3LYP calculations have been performed on Mesembrine, Mesembrenone, Mesembrenol, and Tortuosamine, using the G03 program with complete optimization of geometries. Quantum parameters and thermodynamic Gibbs function were used to investigate the efficiency of the corrosion inhibition of each compound. Mesembrenone was found to have very good corrosion inhibition efficiency as compared to the other compounds. Calculated △Gads values of adsorption show spontaneous physical adsorption which agrees with the experimental value of Mesembryanthemum nodiflorum leaf extract.