A. Mahsoune

Understanding the adsorption of newly Benzylidene-aniline derivatives as a corrosion inhibitor for carbon steel in hydrochloric acid solution: Experimental, DFT and molecular dynamic simulation studies

M.E. Belghiti, S. Bouazama, S. Echihi et al. · Arabian Journal of Chemistry · 2017 · 106 citations · Full text

Environmental Electrochemistry, Engineering, Organic Chemistry +18

Piperine derivatives as green corrosion inhibitors on iron surface; DFT, Monte Carlo dynamics study and complexation modes

M.E. Belghiti, S. Echihi, A. Mahsoune et al. · Journal of Molecular Liquids · 2018 · 94 citations

Materials Science, Inorganic Chemistry, Corrosion Protection +12

A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface

Malika Khnifira, Wafaa Boumya, Jamal Attarki et al. · Chemical Physics Impact · 2022 · 63 citations · Full text

Investigation and comparative study of the quantum molecular descriptors derived from the theoretical modeling and Monte Carlo simulation of two new macromolecular polyepoxide architectures TGEEBA and HGEMDA

Rachid Hsissou, F. Benhiba, Mohammed Hussein Rafeq Khudhair et al. · Journal of King Saud University - Science · 2018 · 60 citations · Full text

Macromolecular Chemistry, Engineering, Molecular Biology +25

Theoretical and experimental study of the adsorption characteristics of Methylene Blue on titanium dioxide surface using DFT and Monte Carlo dynamic simulation

Malika Khnifira, S. El Hamidi, A. Machrouhi et al. · Desalination and Water Treatment · 2020 · 51 citations · Full text