Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study
Ibrahim, Mahmoud A. A., Shehata, Mohammed N. I., Rady, Al-shimaa S. M., Abuelliel, Hassan A. A., Abd Elhafez, Heba S. M., Shawky, Ahmed M., Oraby, Hesham Farouk, Hasanin, Tamer H. A., Soliman, Mahmoud E. S., Moussa, Nayra A. M.
Published in International journal of molecular sciences (01.11.2022)
Published in International journal of molecular sciences (01.11.2022)
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Journal Article
Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study
Ibrahim, Mahmoud A.A, Rady, Al-shimaa S.M, Mandarawe, Asmaa M.A, Mohamed, Lamiaa A, Shawky, Ahmed M, Hasanin, Tamer H.A, Sidhom, Peter A, Soliman, Mahmoud E.S, Moussa, Nayra A.M
Published in Pharmaceuticals (Basel, Switzerland) (23.09.2022)
Published in Pharmaceuticals (Basel, Switzerland) (23.09.2022)
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Journal Article
A Comparative DFT Investigation of the Adsorption of Temozolomide Anticancer Drug over Beryllium Oxide and Boron Nitride Nanocarriers
Ibrahim, Mahmoud A. A., Rady, Al-Shimaa S. M., Sidhom, Peter A., Sayed, Shaban R. M., Ibrahim, Khalid Elfaki, Awad, Ahmed M., Shoeib, Tamer, Mohamed, Lamiaa A.
Published in ACS omega (30.05.2024)
Published in ACS omega (30.05.2024)
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Journal Article
σ‑Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study
Ibrahim, Mahmoud A. A, Moussa, Nayra A. M, Saad, Sherif M. A, Ahmed, Muhammad Naeem, Shawky, Ahmed M, Soliman, Mahmoud E. S, Mekhemer, Gamal A. H, Rady, Al-shimaa S. M
Published in ACS omega (05.04.2022)
Published in ACS omega (05.04.2022)
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Journal Article
σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study
Ibrahim, Mahmoud A. A., Abuelliel, Hassan A. A., Moussa, Nayra A. M., Rady, Al-shimaa S. M., Sayed, Shaban R. M., El-Tayeb, Mohamed A., Ahmed, Muhammad Naeem, Abd El-Rahman, Mohamed Khaled, Shoeib, Tamer
Published in RSC advances (12.07.2024)
Published in RSC advances (12.07.2024)
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Journal Article
Adsorption of Molnupiravir anti-COVID-19 drug over B12N12 and Al12N12 nanocarriers: a DFT study
Ibrahim, Mahmoud A. A., Rady, Al-shimaa S. M., Mohamed, Lamiaa A., Shawky, Ahmed M., Hasanin, Tamer H. A., Sidhom, Peter A., Moussa, Nayra A. M.
Published in Journal of biomolecular structure & dynamics (29.12.2023)
Published in Journal of biomolecular structure & dynamics (29.12.2023)
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Journal Article
π-hole interactions of group III–VI elements with π-systems and Lewis bases: a comparative study
Ibrahim, Mahmoud A. A., Rady, Al-shimaa S. M., Soliman, Mahmoud E. S., Moustafa, Mahmoud F., El-Mageed, H. R. Abd, Moussa, Nayra A. M.
Published in Structural chemistry (01.02.2022)
Published in Structural chemistry (01.02.2022)
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Journal Article
π‐Hole Interactions: A Comparative Investigation Based on Boron‐Containing Molecules
Ibrahim, Mahmoud A. A., Rady, Al‐shimaa S. M., Al‐Fahemi, Jabir H., Telb, Ebtisam M. Z., Ahmed, Saleh A., Shawky, Ahmed M., Moussa, Nayra A. M.
Published in ChemistrySelect (Weinheim) (13.11.2020)
Published in ChemistrySelect (Weinheim) (13.11.2020)
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Journal Article
Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al12P12) nanocage: A DFT study
Rady, Al-shimaa S.M., Moussa, Nayra A.M., Mohamed, Lamiaa A., Sidhom, Peter A., Sayed, Shaban R.M., Abd El-Rahman, Mohamed K., Dabbish, Eslam, Shoeib, Tamer, Ibrahim, Mahmoud A.A.
Published in Heliyon (01.08.2023)
Published in Heliyon (01.08.2023)
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Journal Article
σ‐Hole Interactions of Tetrahedral Group IV–VIII Lewis Acid Centers with Lewis Bases: A Comparative Study
Ibrahim, Mahmoud A. A., Mohamed, Yasmeen A. M., Abuelliel, Hassan A. A., Rady, Al‐shimaa S. M., Soliman, Mahmoud E. S., Ahmed, Muhammad Naeem, Mohamed, Lamiaa A., Moussa, Nayra A. M.
Published in ChemistrySelect (Weinheim) (22.11.2021)
Published in ChemistrySelect (Weinheim) (22.11.2021)
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Journal Article
Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study
Ibrahim, Mahmoud A. A., Rady, Al-shimaa S. M., Mohamed, Lamiaa A., Shawky, Ahmed M., Hasanin, Tamer H. A., Sidhom, Peter A., Moussa, Nayra A. M.
Published in Journal of biomolecular structure & dynamics (29.12.2023)
Published in Journal of biomolecular structure & dynamics (29.12.2023)
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Journal Article
Investigation of aluminum nitride nanocarrier for drug delivery process of Favipiravir: A DFT study
Ibrahim, Mahmoud A.A., Rady, Al-shimaa S.M., Moussa, Nayra A.M., Ahmed, Muhammad Naeem, Sidhom, Peter A., Shawky, Ahmed M., Alqahtani, Alaa M., Mohamed, Lamiaa A.
Published in Journal of molecular liquids (15.02.2023)
Published in Journal of molecular liquids (15.02.2023)
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Journal Article
Beryllium oxide (Be12O12) as a nanocarrier for cisplatin anticancer drug and some of its analogs: A DFT investigation
Ibrahim, Mahmoud A.A., Mahmoud, Aya H.H., Rady, Al-shimaa S.M., Sidhom, Peter A., Sayed, Shaban R.M., Yassin, Mohamed Taha, Rabee, Abdallah I.M., Shoeib, Tamer, Mohamed, Lamiaa A.
Published in Journal of molecular structure (05.11.2024)
Published in Journal of molecular structure (05.11.2024)
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Journal Article
hole interactions of group III-VI elements with [pi]-systems and Lewis bases: a comparative study
Ibrahim, Mahmoud A. A, Rady, Al-shimaa S. M, Soliman, Mahmoud E. S, Moustafa, Mahmoud F, El-Mageed, H. R. Abd, Moussa, Nayra A. M
Published in Structural chemistry (01.02.2022)
Published in Structural chemistry (01.02.2022)
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Journal Article
Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study
Ibrahim, Mahmoud A A, Rady, Al-Shimaa S M, Mohamed, Lamiaa A, Shawky, Ahmed M, Hasanin, Tamer H A, Sidhom, Peter A, Moussa, Nayra A M
Published in Journal of biomolecular structure & dynamics (23.01.2023)
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Published in Journal of biomolecular structure & dynamics (23.01.2023)
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