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Nayra A. M. Moussa
Nayra A. M. Moussa
Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University
Verified email at compchem.net
Title
Cited by
Cited by
Year
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
422020
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
242018
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
232022
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
232019
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
202020
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
162021
±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
152020
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
132021
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
122022
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
112021
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
112021
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
92022
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
92022
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
72023
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
72022
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
62022
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
62022
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
62021
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
52022
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
52022
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