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 | 42 | 2020 |
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 |
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 | 23 | 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 | 23 | 2019 |
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 |
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 | 16 | 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 | 15 | 2020 |
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 | 13 | 2021 |
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 | 12 | 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 |
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 | 9 | 2022 |
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 | 9 | 2022 |
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 | 7 | 2023 |
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 | 7 | 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 | 6 | 2022 |
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 | 6 | 2022 |
σ‐Hole Interactions of Tetrahedral Group IV–VIII Lewis Acid Centers with Lewis Bases: A Comparative Study MAA Ibrahim, YAM Mohamed, HAA Abuelliel, ASM Rady, MES Soliman, ... ChemistrySelect 6 (43), 11856-11864, 2021 | 6 | 2021 |
Unexplored σ-hole and π-hole interactions in (X2CY) 2 complexes (X= F, Cl; Y= O, S) MAA Ibrahim, RRA Saeed, MNI Shehata, EEB Mohamed, MES Soliman, ... Journal of Molecular Structure 1265, 133232, 2022 | 5 | 2022 |
External electric field effect on the strength of σ-hole interactions: a theoretical perspective in like⋯ like carbon-containing complexes MAA Ibrahim, NAM Moussa, AAK Kamel, MNI Shehata, MN Ahmed, ... Molecules 27 (9), 2963, 2022 | 5 | 2022 |