Search Results - "Rady, Al-Shimaa S. M." :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study

Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study

by 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)

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Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study

by 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)

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A Comparative DFT Investigation of the Adsorption of Temozolomide Anticancer Drug over Beryllium Oxide and Boron Nitride Nanocarriers

A Comparative DFT Investigation of the Adsorption of Temozolomide Anticancer Drug over Beryllium Oxide and Boron Nitride Nanocarriers

by 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 (11.06.2024)

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σ‑Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study

σ‑Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study

by 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)

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σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study

σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study

by 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)

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Adsorption of Molnupiravir anti-COVID-19 drug over B12N12 and Al12N12 nanocarriers: a DFT study

Adsorption of Molnupiravir anti-COVID-19 drug over B12N12 and Al12N12 nanocarriers: a DFT study

by 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)

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π-hole interactions of group III–VI elements with π-systems and Lewis bases: a comparative study

π-hole interactions of group III–VI elements with π-systems and Lewis bases: a comparative study

by 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)

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

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

by 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)

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π‐Hole Interactions: A Comparative Investigation Based on Boron‐Containing Molecules

π‐Hole Interactions: A Comparative Investigation Based on Boron‐Containing Molecules

by 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)

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σ‐Hole Interactions of Tetrahedral Group IV–VIII Lewis Acid Centers with Lewis Bases: A Comparative Study

σ‐Hole Interactions of Tetrahedral Group IV–VIII Lewis Acid Centers with Lewis Bases: A Comparative Study

by 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)

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Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study

Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study

by 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)

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Allopurinol, oxypurinol, and thiopurinol expired drugs as corrosion inhibitors toward Al (111) surface: a DFT and FPMD simulation study

Allopurinol, oxypurinol, and thiopurinol expired drugs as corrosion inhibitors toward Al (111) surface: a DFT and FPMD simulation study

by Mohamed, Lamiaa A., Mahmoud, Amna H. M., Rady, Al-shimaa S. M., El-Tayeb, Mohamed A., Rabee, Abdallah I. M., Shoeib, Tamer, Ibrahim, Mahmoud A. A.
Published in Chemical papers (29.10.2024)

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

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

by 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)

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Beryllium oxide (Be12O12) as a nanocarrier for cisplatin anticancer drug and some of its analogs: A DFT investigation

Beryllium oxide (Be12O12) as a nanocarrier for cisplatin anticancer drug and some of its analogs: A DFT investigation

by 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)

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hole interactions of group III-VI elements with [pi]-systems and Lewis bases: a comparative study

hole interactions of group III-VI elements with [pi]-systems and Lewis bases: a comparative study

by 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)

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Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study

Adsorption of Molnupiravir anti-COVID-19 drug over B 12 N 12 and Al 12 N 12 nanocarriers: a DFT study

by 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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