| Anchoring the late first row transition metals with B12P12 nanocage to act as single atom catalysts toward oxygen evolution reaction (OER) A Allangawi, T Mahmood, K Ayub, MA Gilani Materials Science in Semiconductor Processing 153, 107164, 2023 | 31 | 2023 |
| High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective A Allangawi, H Sajid, K Ayub, MA Gilani, MS Akhter, T Mahmood Computational and Theoretical Chemistry 1220, 113990, 2023 | 28 | 2023 |
| First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction A Allangawi, MA Gilani, K Ayub, T Mahmood International Journal of Hydrogen Energy 48 (44), 16663-16677, 2023 | 27 | 2023 |
| Removal of methylene blue by using sodium alginate-based hydrogel; validation of experimental findings via DFT calculations A Allangawi, MAA Aljar, K Ayub, A Abd El-Fattah, T Mahmood Journal of Molecular Graphics and Modelling 122, 108468, 2023 | 17 | 2023 |
| Carbon capture materials in post-combustion: adsorption and absorption-based processes A Allangawi, EFH Alzaimoor, HH Shanaah, HA Mohammed, H Saqer, ... C 9 (1), 17, 2023 | 17 | 2023 |
| Investigation of the cyclo [12] carbon nanoring and respective analogues (Al6N6 and B6N6) as support for the single atom catalysis of the hydrogen evolution reaction A Allangawi, HH Shanaah, T Mahmood, K Ayub Materials Science in Semiconductor Processing 162, 107544, 2023 | 11 | 2023 |
| Therapeutic efficiency of B3O3 quantum dot as a targeted drug delivery system toward Foscarnet anti-HIV drug MN Zahid, M Asif, H Sajid, N Kosar, MA Shahid, A Allangawi, K Ayub, ... Computational and Theoretical Chemistry 1224, 114107, 2023 | 10 | 2023 |
| Decorating Mg12O12 Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction A Allangawi, N Kosar, K Ayub, MA Gilani, NHB Zainal Arfan, MHSA Hamid, ... ACS omega 8 (41), 37820-37829, 2023 | 7 | 2023 |
| Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting … A Allangawi, K Ayub, MA Gilani, M Imran, T Mahmood International Journal of Hydrogen Energy 53, 989-998, 2024 | 6 | 2024 |
| Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants A Allangawi, KA Jalal, K Ayub, MA Gilani, T Mahmood Computational and Theoretical Chemistry 1222, 114079, 2023 | 5 | 2023 |
| Highly active late second-row transition metals loaded B12P12 nanocages as bifunctional single atom catalysts toward hydrogen and oxygen evolution reactions A Allangawi, K Ayub, MA Gilani, A Ebrahim, M Imran, T Mahmood International Journal of Hydrogen Energy 61, 47-56, 2024 | 2 | 2024 |
| Transition metal-modified 1-Azahomocubane dimers: Designed catalysts for enhanced hydrogen and oxygen evolution reactions via first-principles calculations S Biju, A Allangawi, R Balachandran, K Ayub, MA Gilani, M Imran, ... International Journal of Hydrogen Energy 77, 906-914, 2024 | | 2024 |
