Al‐Shimaa Badran

In-depth experimental assessment of two new aminocoumarin derivatives as corrosion inhibitors for carbon steel in HCl media combined with AFM, SEM/EDX, contact angle, and DFT/MDs simulations

N.S. Abdelshafi, Ahmed A. Farag, F. El‐Taib Heakal et al. · Journal of Molecular Structure · 2024 · 85 citations

Natural Sciences, Chemistry, Materials Science +17

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

Spectroscopic elucidation, quantum chemical computations (FMO, HOMO–LUMO, MEP, NLO), and biological activity on some novel heterocyclic compounds using 3-substituted-6,8-dimethylchromones

Mai Mostafa, Magdy A. Ibrahim, Al‐Shimaa Badran · Synthetic Communications · 2024 · 30 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14

Synthesis, spectral characterization, DFT and in silico ADME studies of the novel pyrido[1,2-a]benzimidazoles and pyrazolo[3,4-b]pyridines

Al‐Shimaa Badran, Magdy A. Ibrahim · Journal of Molecular Structure · 2022 · 29 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

Synthesis, structural characterization, fukui functions, DFT calculations, molecular docking and biological efficiency of some novel heterocyclic systems

Magdy A. Ibrahim, Al‐Shimaa Badran, Marwa M. A. Attai et al. · Journal of Molecular Structure · 2024 · 29 citations

Natural Sciences, Chemistry, Medicinal Chemistry +16