Shimaa Abdel Halim

Experimental and theoretical evaluation of a newly synthesized quinoline derivative as corrosion inhibitor for iron in 1.0 M hydrochloric acid solution

N.S. Abdelshafi, Magdy A. M. Ibrahim, Al‐Shimaa Badran et al. · Journal of Molecular Structure · 2021 · 76 citations

Natural Sciences, Chemical Engineering, Chemistry +16

Synthesis, DFT calculations, electronic structure, electronic absorption spectra, natural bond orbital (NBO) and nonlinear optical (NLO) analysis of the novel 5-methyl-8H-benzo[h]chromeno[2,3-b][1,6] naphthyridine-6(5H),8-dione (MBCND)

Shimaa Abdel Halim, Magdy A. Ibrahim · Journal of Molecular Structure · 2016 · 74 citations

Natural Sciences, Chemistry, Physics +17

Corrosion inhibition of aluminum in 1 M HCl by novel pyrimidine derivatives, EFM measurements, DFT calculations and MD simulation

N.S. Abdelshafi, Mervat A. Sadik, Madiha Shoeib et al. · Arabian Journal of Chemistry · 2021 · 59 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Theoretical approach for the performance of 4-mercapto-1-alkylpyridin-1-ium bromide as corrosion inhibitors using DFT

E. A. M. Gad, E. M. S. Azzam, Shimaa Abdel Halim · Egyptian Journal of Petroleum · 2017 · 53 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

DFT study, and natural bond orbital (NBO) population analysis of 2-(2-Hydroxyphenyl)-1-azaazulene tautomers and their mercapto analouges

Shimaa Abdel Halim, Asmaa B. El-Meligy, Ahmed M. El‐Nahas et al. · Scientific Reports · 2024 · 50 citations · Full text

Natural Sciences, Chemistry, Physics +17