Výsledky vyhledávání - "Nayra A.M. Moussa"

Akademický článek

σ‑Hole Site-Based Interactions within Hypervalent Pnicogen, Halogen, and Aerogen-Bearing Molecules with Lewis Bases: A Comparative Study

Autor: 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

Publikováno v: ACS Omega, Vol 9, Iss 9, Pp 10391-10399 (2024)

Externí odkaz: https://doaj.org/article/36862abb9c0541ef8eeef6ee6c388159

Zobrazit plný text záznamu

Akademický článek

Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study

Autor: Al-shimaa S.M. Rady, Nayra A.M. Moussa, Lamiaa A. Mohamed, Peter A. Sidhom, Shaban R.M. Sayed, Mohamed K. Abd El-Rahman, Eslam Dabbish, Tamer Shoeib, Mahmoud A.A. Ibrahim

Publikováno v: Heliyon, Vol 9, Iss 8, Pp e18690- (2023)

Adsorption amplitude of the aluminum phosphide (Al12P12) nanocage toward the 2-Mercaptopyridine (MCP) drug was herein monitored based on density functional theory (DFT) calculations. The adsorption process through MCP⋅⋅⋅Al12P12 complex in vario

Externí odkaz: https://doaj.org/article/7737866968ed4f248873ab85e48cfbc3

Zobrazit plný text záznamu

On the efficiency of barbituric acid and its thio derivatives as aluminium corrosion inhibitors: A computational study

Autor: Mahmoud A.A. Ibrahim, Nayra A.M. Moussa, Amna H.M. Mahmoud, Ahmed M. Shawky, Lamiaa A. Mohamed

Publikováno v: Journal of Molecular Liquids. 383:122155

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8aaee9f1f91e0d7349fafac90781d5d7
https://doi.org/10.1016/j.molliq.2023.122155

Zobrazit plný text záznamu

Investigation of aluminum nitride nanocarrier for drug delivery process of Favipiravir: A DFT study

Autor: Mahmoud A.A. Ibrahim, Al-shimaa S.M. Rady, Nayra A.M. Moussa, Muhammad Naeem Ahmed, Peter A. Sidhom, Ahmed M. Shawky, Alaa M. Alqahtani, Lamiaa A. Mohamed

Publikováno v: Journal of Molecular Liquids. 372:121209

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0a6294063e19e094da37736bf9f3a374
https://doi.org/10.1016/j.molliq.2023.121209

Zobrazit plný text záznamu

Unexplored σ-hole and π-hole interactions in (X2CY)2 complexes (X = F, Cl; Y = O, S)

Autor: Mahmoud A.A. Ibrahim, Rehab R.A. Saeed, Mohammed N.I. Shehata, Esraa E.B. Mohamed, Mahmoud E.S. Soliman, Jabir H. Al-Fahemi, H.R. Abd El-Mageed, Muhammad Naeem Ahmed, Ahmed M. Shawky, Nayra A.M. Moussa

Publikováno v: Journal of Molecular Structure. 1265:133232

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2b0147fd12a0c95342007c69a86d16a9
https://doi.org/10.1016/j.molstruc.2022.133232

Zobrazit plný text záznamu