| Unconventional type III halogen··· halogen interactions: A quantum mechanical elucidation of σ-hole··· σ-hole and di-σ-hole interactions MAA Ibrahim, NAM Moussa ACS omega 5 (34), 21824-21835, 2020 | 46 | 2020 |
| Type I–IV halogen⋯ halogen interactions: a comparative theoretical study in halobenzene⋯ halobenzene homodimers MAA Ibrahim, RRA Saeed, MNI Shehata, MN Ahmed, AM Shawky, ... International Journal of Molecular Sciences 23 (6), 3114, 2022 | 30 | 2022 |
| Comparative investigation of interactions of hydrogen, halogen and tetrel bond donors with electron-rich and electron-deficient π-systems MAA Ibrahim, OAM Ahmed, NAM Moussa, S El-Taher, H Moustafa RSC advances 9 (56), 32811-32820, 2019 | 24 | 2019 |
| Quantum-mechanical investigation of tetrel bond characteristics based on the point-of-charge (PoC) approach MAA Ibrahim, NAM Moussa, MEA Safy Journal of Molecular Modeling 24, 1-13, 2018 | 24 | 2018 |
| Comparative investigation of ±σ–hole interactions of carbon-containing molecules with Lewis bases, acids and di-halogens MAA Ibrahim, AHM Mahmoud, NAM Moussa Chemical Papers 74 (10), 3569-3580, 2020 | 20 | 2020 |
| Adsorption of chlormethine anti-cancer drug on pure and aluminum-doped boron nitride nanocarriers: A comparative DFT study MAA Ibrahim, ASM Rady, AMA Mandarawe, LA Mohamed, AM Shawky, ... Pharmaceuticals 15 (10), 1181, 2022 | 17 | 2022 |
| External electric field effects on the σ-hole and lone-pair hole interactions of group V elements: A comparative investigation MAA Ibrahim, SMA Saad, JH Al-Fahemi, GAH Mekhemer, SA Ahmed, ... RSC advances 11 (7), 4022-4034, 2021 | 17 | 2021 |
| ±π‐Hole Interactions: A Comparative Investigation Based on Boron‐Containing Molecules MAA Ibrahim, ASM Rady, JH Al‐Fahemi, EMZ Telb, SA Ahmed, ... ChemistrySelect 5 (42), 13223-13231, 2020 | 17 | 2020 |
| Unusual chalcogen⋯ chalcogen interactions in like⋯ like and unlike Y [double bond, length as m-dash] C [double bond, length as m-dash] Y⋯ Y [double bond, length as m-dash] C … MAA Ibrahim, MNI Shehata, MES Soliman, MF Moustafa, ... Physical Chemistry Chemical Physics 24 (5), 3386-3399, 2022 | 16 | 2022 |
| Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: A DFT study MAA Ibrahim, MHA Hamad, AHM Mahmoud, GAH Mekhemer, PA Sidhom, ... RSC advances 13 (26), 17465-17475, 2023 | 14 | 2023 |
| Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study MAA Ibrahim, AHM Mahmoud, KA Soliman, GAH Mekhemer, MN Ahmed, ... Nanomaterials 12 (6), 1028, 2022 | 14 | 2022 |
| Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study MAA Ibrahim, OAM Ahmed, S El-Taher, JH Al-Fahemi, NAM Moussa, ... ACS omega 6 (4), 3319-3329, 2021 | 14 | 2021 |
| Investigation of aluminum nitride nanocarrier for drug delivery process of Favipiravir: A DFT study MAA Ibrahim, ASM Rady, NAM Moussa, MN Ahmed, PA Sidhom, ... Journal of Molecular Liquids 372, 121209, 2023 | 12 | 2023 |
| π-Hole interactions of group III–VI elements with π-systems and Lewis bases: A comparative study MAA Ibrahim, ASM Rady, MES Soliman, MF Moustafa, HRA El-Mageed, ... Structural Chemistry, 1-13, 2022 | 12 | 2022 |
| Adsorption Behavior of Toxic Carbon Dichalcogenides (CX2; X = O, S, or Se) on β12 Borophene and Pristine Graphene Sheets: A DFT Study MAA Ibrahim, AHM Mahmoud, GAH Mekhemer, AM Shawky, ... Nanomaterials 12 (19), 3411, 2022 | 11 | 2022 |
| Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn) MAA Ibrahim, AAK Kamel, MES Soliman, MF Moustafa, HRA El-Mageed, ... ACS omega 6 (39), 25476-25485, 2021 | 11 | 2021 |
| On the Potentiality of X-T-X3 Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors MAA Ibrahim, NAM Moussa, MES Soliman, MF Moustafa, JH Al-Fahemi, ... ACS omega 6 (29), 19330-19341, 2021 | 11 | 2021 |
| R•-hole interactions of group IV-VII radical-containing molecules: A comparative study MAA Ibrahim, YAM Mohamed, HSM Abd Elhafez, MNI Shehata, ... Journal of Molecular Graphics and Modelling 111, 108097, 2022 | 10 | 2022 |
| Adsorption of Molnupiravir anti-COVID-19 drug over B12N12 and Al12N12 nanocarriers: a DFT study MAA Ibrahim, ASM Rady, LA Mohamed, AM Shawky, THA Hasanin, ... Journal of Biomolecular Structure and Dynamics 41 (22), 12923-12937, 2023 | 9 | 2023 |
| Sigma-hole and lone-pair-hole site-based interactions of seesaw tetravalent chalcogen-bearing molecules with Lewis bases MAA Ibrahim, RRA Saeed, MNI Shehata, NAM Moussa, AM Tawfeek, ... ACS omega 8 (36), 32828-32837, 2023 | 9 | 2023 |