Nayra A M Moussa

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 23

Top Topics

Density Functional Theory

Walled Carbon Nanotubes

Top Venues

Nanomaterials (Basel, Switzerland)

Molecules (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Mahmoud A A Ibrahim, Asmaa M M Mahmoud, Mohammed N I Shehata, Rehab R A Saeed, Nayra A M Moussa, Shaban R M Sayed, Mohamed Khaled Abd El-Rahman, Tamer Shoeib
σ-Hole Site-Based Interactions within Hypervalent Pnicogen, Halogen, and Aerogen-Bearing Molecules with Lewis Bases: A Comparative Study. ACS omega 9 (9) (2024)
Mahmoud A A Ibrahim, Hassan A A Abuelliel, Nayra A M Moussa, Al-Shimaa S M Rady, Shaban R M Sayed, Mohamed A El-Tayeb, Muhammad Naeem Ahmed, Mohamed Khaled Abd El-Rahman, Tamer Shoeib
σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study. RSC advances 14 (31) (2024)
Mahmoud A A Ibrahim, Asmaa M M Mahmoud, Mohammed N I Shehata, Rehab R A Saeed, Nayra A M Moussa, Shaban R M Sayed, Mohamed Khaled Abd El-Rahman, Tamer Shoeib
σ-Hole Site-Based Interactions within Hypervalent Pnicogen, Halogen, and Aerogen-Bearing Molecules with Lewis Bases: A Comparative Study. ACS omega 9 (9) (2024)
Mahmoud A A Ibrahim, Hassan A A Abuelliel, Nayra A M Moussa, Al-Shimaa S M Rady, Shaban R M Sayed, Mohamed A El-Tayeb, Muhammad Naeem Ahmed, Mohamed Khaled Abd El-Rahman, Tamer Shoeib
σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study. RSC advances 14 (31) (2024)
Mahmoud A A Ibrahim, Manar H A Hamad, Nayra A M Moussa, Omar H Abd-Elkader, Shaban R M Sayed, Muhammad Naeem Ahmed, Ahmed M Awad, Tamer Shoeib
Aluminium phosphide (Al 12 P 12 ) nanocage as a potential sensor for volatile organic compounds: A DFT study. RSC advances 14 (20) (2024)
Mahmoud A A Ibrahim, Heba S M Abd Elhafez, Mohammed N I Shehata, Nayra A M Moussa, Shaban R M Sayed, Mahmoud E S Soliman, Muhammad Naeem Ahmed, Mohamed Khaled Abd El-Rahman, Tamer Shoeib
Unconventional Radical and Radical-Hole Site-Based Interactions in Halogen-Bearing Dimers and Trimers: A Comparative Study. ACS omega 9 (37) (2024)
Mahmoud A A Ibrahim, Rehab R A Saeed, Mohammed N I Shehata, Nayra A M Moussa, Ahmed M Tawfeek, Muhammad Naeem Ahmed, Mohamed K Abd El-Rahman, Tamer Shoeib
Sigma-Hole and Lone-Pair-Hole Site-Based Interactions of Seesaw Tetravalent Chalcogen-Bearing Molecules with Lewis Bases. ACS omega 8 (36) (2023)
Mahmoud A A Ibrahim, Manar H A Hamad, Amna H M Mahmoud, Gamal A H Mekhemer, Peter A Sidhom, Shaban R M Sayed, Nayra A M Moussa, Abdallah I M Rabee, Eslam Dabbish, Tamer Shoeib
Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study. RSC advances 13 (26) (2023)
Mahmoud A A Ibrahim, Nayra A M Moussa, Amna H M Mahmoud, Shaban R M Sayed, Peter A Sidhom, Mohamed K Abd El-Rahman, Tamer Shoeib, Lamiaa A Mohamed
Density functional theory study of the corrosion inhibition performance of 6-mercaptopurine and 6-thioguanine expired drugs toward the aluminium (111) surface. RSC advances 13 (41) (2023)
Mahmoud A A Ibrahim, Mohammed N I Shehata, Nayra A M Moussa, Randa R A Hemia, Heba S M Abd Elhafez, Mohamed K Abd El-Rahman, Shaban R M Sayed, Peter A Sidhom, Eslam Dabbish, Tamer Shoeib
Preferability of Molnupiravir, an Anti-COVID-19 Drug, toward Purine Nucleosides: A Quantum Mechanical Study. ACS omega 8 (30) (2023)
Mahmoud A A Ibrahim, Al-Shimaa S M Rady, Lamiaa A Mohamed, Ahmed M Shawky, Tamer H A Hasanin, Peter A Sidhom, Nayra A M Moussa
Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study. Journal of biomolecular structure & dynamics (2023)
Mahmoud A A Ibrahim, Amna H M Mahmoud, Nayra A M Moussa, Gamal A H Mekhemer, Shaban R M Sayed, Muhammad Naeem Ahmed, Mohamed K Abd El-Rahman, Eslam Dabbish, Tamer Shoeib
Adsorption Features of Tetrahalomethanes (CX 4 ; X = F, Cl, and Br) on β 12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study. Molecules (Basel, Switzerland) 28 (14) (2023)
Mahmoud A A Ibrahim, Mohammed N I Shehata, Hassan A A Abuelliel, Nayra A M Moussa, Shaban R M Sayed, Muhammad Naeem Ahmed, Mohamed K Abd El-Rahman, Eslam Dabbish, Tamer Shoeib
Hole interactions of aerogen oxides with Lewis bases: an insight into σ-hole and lone-pair-hole interactions. Royal Society open science 10 (12) (2023)
Mahmoud A A Ibrahim, Amna H M Mahmoud, Kamal A Soliman, Gamal A H Mekhemer, Muhammad Naeem Ahmed, Ahmed Mahmoud Shawky, Mohammad A S Abourehab, Eslam B Elkaeed, Mahmoud E S Soliman, Nayra A M Moussa
Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study. Nanomaterials (Basel, Switzerland) 12 (6) (2022)
Mahmoud A A Ibrahim, Nayra A M Moussa, Sherif M A Saad, Muhammad Naeem Ahmed, Ahmed M Shawky, Mahmoud E S Soliman, Gamal A H Mekhemer, Al-Shimaa S M Rady
σ-Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study. ACS omega 7 (13) (2022)
Mahmoud A A Ibrahim, Al-Shimaa S M Rady, Asmaa M A Mandarawe, Lamiaa A Mohamed, Ahmed Mahmoud Shawky, Tamer H A Hasanin, Peter A Sidhom, Mahmoud E S Soliman, Nayra A M Moussa
Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study. Pharmaceuticals (Basel, Switzerland) 15 (10) (2022)
Mahmoud A A Ibrahim, Amna H M Mahmoud, Gamal A H Mekhemer, Ahmed Mahmoud Shawky, Mahmoud E S Soliman, Nayra A M Moussa
Adsorption Behavior of Toxic Carbon Dichalcogenides (CX 2 ; X = O, S, or Se) on β 12 Borophene and Pristine Graphene Sheets: A DFT Study. Nanomaterials (Basel, Switzerland) 12 (19) (2022)
Mahmoud A A Ibrahim, Mohammed N I Shehata, Al-Shimaa S M Rady, Hassan A A Abuelliel, Heba S M Abd Elhafez, Ahmed Mahmoud Shawky, Hesham Farouk Oraby, Tamer H A Hasanin, Mahmoud E S Soliman, Nayra A M Moussa
Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study. International journal of molecular sciences 23 (21) (2022)
Mahmoud A A Ibrahim, Mohammed N I Shehata, Mahmoud E S Soliman, Mahmoud F Moustafa, H R Abd El-Mageed, Nayra A M Moussa
Unusual chalcogen⋯chalcogen interactions in like⋯like and unlike YCY⋯YCY complexes (Y = O, S, and Se). Physical chemistry chemical physics : PCCP 24 (5) (2022)
Mahmoud A A Ibrahim, Nayra A M Moussa, Afnan A K Kamel, Mohammed N I Shehata, Muhammad Naeem Ahmed, Fouad Taha, Mohammad A S Abourehab, Ahmed Mahmoud Shawky, Eslam B Elkaeed, Mahmoud E S Soliman
External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes. Molecules (Basel, Switzerland) 27 (9) (2022)
Mahmoud A A Ibrahim, Sherif M A Saad, Jabir H Al-Fahemi, Gamal A H Mekhemer, Saleh A Ahmed, Ahmed M Shawky, Nayra A M Moussa
External electric field effects on the σ-hole and lone-pair hole interactions of group V elements: a comparative investigation. RSC advances 11 (7) (2021)
Mahmoud A A Ibrahim, Afnan A K Kamel, Mahmoud E S Soliman, Mahmoud F Moustafa, H R Abd El-Mageed, Fouad Taha, Lamiaa A Mohamed, Nayra A M Moussa
Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn). ACS omega 6 (39) (2021)
Mahmoud A A Ibrahim, Nayra A M Moussa, Mahmoud E S Soliman, Mahmoud F Moustafa, Jabir H Al-Fahemi, H R Abd El-Mageed
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. ACS omega 6 (29) (2021)