Showing 1 - 15 results of 15 for search 'Nayra A.M. Moussa', query time: 0.05s Refine Results
  1. 1
    Unconventional Type III Halogen···Halogen Interactions: A Quantum Mechanical Elucidation of σ‑Hole···σ-Hole and Di-σ-Hole Interactions

    Unconventional Type III Halogen···Halogen Interactions: A Quantum Mechanical Elucidation of σ‑Hole···σ-Hole and Di-σ-Hole Interactions by Mahmoud A. A. Ibrahim, Nayra A. M. Moussa

    Published 2020-08-01
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  2. 2
    Cospatial σ‑Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π‑Systems: A Quantum Mechanical Study

    Cospatial σ‑Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π‑Systems: A Quantum Mechanical Study by Mahmoud A. A. Ibrahim, Ossama A. M. Ahmed, Sabry El-Taher, Jabir H. Al-Fahemi, Nayra A. M. Moussa, Hussein Moustafa

    Published 2021-01-01
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  3. 3
    Adsorption Behavior of Toxic Carbon Dichalcogenides (CX<sub>2</sub>; X = O, S, or Se) on <i>β</i><sub>12</sub> Borophene and Pristine Graphene Sheets: A DFT Study

    Adsorption Behavior of Toxic Carbon Dichalcogenides (CX<sub>2</sub>; X = O, S, or Se) on <i>β</i><sub>12</sub> Borophene and Pristine Graphene Sheets: A DFT Study by Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Gamal A. H. Mekhemer, Ahmed M. Shawky, Mahmoud E. S. Soliman, Nayra A. M. Moussa

    Published 2022-09-01
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  4. 4
    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

    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 by Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, Mahmoud E. S. Soliman, Mahmoud F. Moustafa, Jabir H. Al-Fahemi, H. R. Abd El-Mageed

    Published 2021-07-01
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  5. 5
    Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn)

    Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn) by 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

    Published 2021-09-01
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  6. 6
    Sigma-Hole and Lone-Pair-Hole Site-Based Interactions of Seesaw Tetravalent Chalcogen-Bearing Molecules with Lewis Bases

    Sigma-Hole and Lone-Pair-Hole Site-Based Interactions of Seesaw Tetravalent Chalcogen-Bearing Molecules with Lewis Bases by 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

    Published 2023-08-01
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  7. 7
    σ‑Hole Site-Based Interactions within Hypervalent Pnicogen, Halogen, and Aerogen-Bearing Molecules with Lewis Bases: A Comparative Study

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

    Published 2024-02-01
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  8. 8
    Type I–IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers

    Type I–IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers by Mahmoud A. A. Ibrahim, Rehab R. A. Saeed, Mohammed N. I. Shehata, Muhammad Naeem Ahmed, Ahmed M. Shawky, Manal M. Khowdiary, Eslam B. Elkaeed, Mahmoud E. S. Soliman, Nayra A. M. Moussa

    Published 2022-03-01
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  9. 9
    Adsorption Features of Tetrahalomethanes (CX<sub>4</sub>; X = F, Cl, and Br) on <i>β</i><sub>12</sub> Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study

    Adsorption Features of Tetrahalomethanes (CX<sub>4</sub>; X = F, Cl, and Br) on <i>β</i><sub>12</sub> Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study by 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

    Published 2023-07-01
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  10. 10
    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 Mahmoud A. A. Ibrahim, Al-shimaa S. M. Rady, Asmaa M. A. Mandarawe, Lamiaa A. Mohamed, Ahmed M. Shawky, Tamer H. A. Hasanin, Peter A. Sidhom, Mahmoud E. S. Soliman, Nayra A. M. Moussa

    Published 2022-09-01
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  11. 11
    Hole interactions of aerogen oxides with Lewis bases: an insight into σ-hole and lone-pair-hole interactions

    Hole interactions of aerogen oxides with Lewis bases: an insight into σ-hole and lone-pair-hole interactions by 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

    Published 2023-12-01
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  12. 12
    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 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

    Published 2023-08-01
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  13. 13
    External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes

    External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes by Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, Afnan A. K. Kamel, Mohammed N. I. Shehata, Muhammad Naeem Ahmed, Fouad Taha, Mohammed A. S. Abourehab, Ahmed M. Shawky, Eslam B. Elkaeed, Mahmoud E. S. Soliman

    Published 2022-05-01
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  14. 14
    Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study

    Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study by Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Kamal A. Soliman, Gamal A. H. Mekhemer, Muhammad Naeem Ahmed, Ahmed M. Shawky, Mohammed A. S. Abourehab, Eslam B. Elkaeed, Mahmoud E. S. Soliman, Nayra A. M. Moussa

    Published 2022-03-01
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  15. 15
    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 Mahmoud A. A. Ibrahim, Mohammed N. I. Shehata, Al-shimaa S. M. Rady, Hassan A. A. Abuelliel, Heba S. M. Abd Elhafez, Ahmed M. Shawky, Hesham Farouk Oraby, Tamer H. A. Hasanin, Mahmoud E. S. Soliman, Nayra A. M. Moussa

    Published 2022-10-01
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