Khalid H. Abu-Shandi

DFT Calculations of Mesembryanthemum nodiflorum Compounds as Corrosion Inhibitors of Aluminum

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 · Physical Science International Journal · 2016

Density functional theory (DFT) calculations have been performed on Mesembrine, Mesembrenone, Mesembrenol and Tortuosamine, using Gaussian 03 (G03) program with complete optimization of geometries. Quantum parameters and thermodynamic Gibbs function have been used to investigate...