| Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton KM Khan, F Rahim, A Wadood, N Kosar, M Taha, S Lalani, A Khan, ... European journal of medicinal chemistry 81, 245-252, 2014 | 163 | 2014 |
| Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT study F Ullah, N Kosar, K Ayub, T Mahmood Applied Surface Science 483, 1118-1128, 2019 | 106 | 2019 |
| Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response F Ullah, N Kosar, K Ayub, MA Gilani, T Mahmood New Journal of Chemistry 43 (15), 5727-5736, 2019 | 79 | 2019 |
| Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical response F Ullah, N Kosar, MN Arshad, MA Gilani, K Ayub, T Mahmood Optics & Laser Technology 122, 105855, 2020 | 77 | 2020 |
| Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response N Kosar, K Shehzadi, K Ayub, T Mahmood Journal of Molecular Graphics and Modelling 97, 107573, 2020 | 71 | 2020 |
| Doping superalkali on Zn12O12 nanocage constitutes a superior approach to fabricate stable and high-performance nonlinear optical materials N Kosar, T Mahmood, K Ayub, S Tabassum, M Arshad, MA Gilani Optics & Laser Technology 120, 105753, 2019 | 67 | 2019 |
| Outstanding NLO response of thermodynamically stable single and multiple alkaline earth metals doped C20 fullerene H Tahir, N Kosar, K Ayub, T Mahmood Journal of Molecular Liquids 305, 112875, 2020 | 48 | 2020 |
| First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface S Khan, M Yar, N Kosar, K Ayub, M Arshad, MN Zahid, T Mahmood Computational and Theoretical Chemistry 1191, 113043, 2020 | 47 | 2020 |
| Significant nonlinear optical response of alkaline earth metals doped beryllium and magnesium oxide nanocages N Kosar, S Gul, K Ayub, A Bahader, MA Gilani, M Arshad, T Mahmood Materials Chemistry and Physics 242, 122507, 2020 | 44 | 2020 |
| Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study F Ullah, N Kosar, A Ali, T Mahmood, K Ayub Physica E: Low-dimensional Systems and Nanostructures 118, 113906, 2020 | 41 | 2020 |
| DFT studies of single and multiple alkali metals doped C24 fullerene for electronics and nonlinear optical applications N Kosar, H Tahir, K Ayub, T Mahmood Journal of Molecular Graphics and Modelling 105, 107867, 2021 | 34 | 2021 |
| Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study N Kosar, K Ayub, T Mahmood Journal of Molecular Graphics and Modelling 102, 107794, 2021 | 34 | 2021 |
| Design of novel inorganic alkaline earth metal doped aluminum nitride complexes (AEM@ Al12N12) with high chemical stability, improved electronic properties and large nonlinear … F Ullah, N Kosar, A Ali, T Mahmood, K Ayub Optik 207, 163792, 2020 | 31 | 2020 |
| Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials S Wajid, N Kosar, F Ullah, MA Gilani, K Ayub, S Muhammad, T Mahmood ACS omega 6 (44), 29852-29861, 2021 | 30 | 2021 |
| Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study F Wasim, N Kosar, T Mahmood, K Ayub Journal of molecular modeling 24, 1-14, 2018 | 30 | 2018 |
| Halides encapsulation in aluminum/boron phosphide nanoclusters: an effective strategy for high cell voltage in Na-ion battery N Kosar, M Asgar, K Ayub, T Mahmood Materials Science in Semiconductor Processing 97, 71-79, 2019 | 29 | 2019 |
| Nonlinear optical response of sodium based superalkalis decorated graphdiyne surface: A DFT study N Kosar, K Shehzadi, K Ayub, T Mahmood Optik 218, 165033, 2020 | 26 | 2020 |
| Structural, spectroscopic and nonlinear optical properties of sulfonamide derivatives; experimental and theoretical study MN Arshad, HM Faidallah, AM Asiri, N Kosar, T Mahmood Journal of Molecular Structure 1202, 127393, 2020 | 24 | 2020 |
| DFT study of acceleration of electrocyclization in photochromes under radical cationic conditions: comparison with recent experimental data T Mahmood, N Kosar, K Ayub Tetrahedron 73 (25), 3521-3528, 2017 | 24 | 2017 |
| Remarkable nonlinear optical response of Mn@ C20 (M= Na & K and n= 1–6); a DFT outcome N Kosar, H Tahir, K Ayub, MA Gilani, M Imran, T Mahmood Materials Science in Semiconductor Processing 138, 106269, 2022 | 23 | 2022 |
Dr Tariq Mahmood (Associate Profess...Department of Chemistry, College of Science, University of BahrainVerified email at uob.edu.bh
