| Benchmark study of benzamide derivatives and four novel theoretically designed (L1, L2, L3, and L4) ligands and evaluation of their biological properties by DFT approaches Amanullah, U Ali, M Ans, J Iqbal, MA Iqbal, M Shoaib Journal of molecular modeling 25, 1-9, 2019 | 34 | 2019 |
| Designing indaceno thiophene–based three new molecules containing non-fullerene acceptors as strong electron withdrawing groups with DFT approaches U Ali Journal of Molecular Modelling, 2019 | 30 | 2019 |
| Molecular designing of four high performance pyrazine-based non-fullerene acceptor materials with naphthalene diimide-based small organic solar cells U Ali, A Javed, A Tallat, J Iqbal, A Raza Journal of molecular modeling 25, 1-12, 2019 | 26 | 2019 |
| Spirofluorene based small molecules as an alternative to traditional non-fullerene acceptors for organic solar cells M Abbas, U Ali, M Faizan, MBA Siddique Optical and Quantum Electronics 53 (5), 246, 2021 | 23 | 2021 |
| An optoelectronic study to design better benzodithiophene (BDT) donor unit based non-fullerene organic solar cells (OSCs): the DFT approaches F Abbas, U Ali, A Tallat, HMR Ahmad, SA Siddique, Z Zeb, MBA Siddique Chemical Papers 76 (8), 4977-4987, 2022 | 21 | 2022 |
| Molecular designing of naphthalene diimide based fullerene-free small organic solar cell-Acceptors with high photovoltaic performance by density functional theory U Ali, A Javed, H Ramzan, M Shoaib, A Raza, MT Khalil, SB Cheng, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 228, 117685, 2020 | 20 | 2020 |
| Role of Iodo-Substituted Subphthalocyanine (Subpcs) π-conjugated aromatic N-fused di-Iminoisonidole units on the performance of non-fullerene small organic solar cells F Abbas, U Ali, HMR Ahmad, A Tallat, A Shehzad, Z Zeb, I Hussain, ... Computational and Theoretical Chemistry 1207, 113508, 2022 | 17 | 2022 |
| Designing difluoro substituted benzene ring based fullerene free acceptors for small Naphthalene Di-Imide based molecules with DFT approaches U Ali, A Javed, Amanullah, M Shoaib, M Kashif, A Raza, SB Cheng, ... Optical and Quantum Electronics 51, 1-23, 2019 | 17 | 2019 |
| Theoretical study of α, β unsaturated carbonyl thiophene derivatives to investigate optoelectronic properties toward organic photovoltaics MS Tayyaba Iftikhar, Usman Ali Journal of Molecular Modelling 26 (12), 342:1-8, 2020 | 13* | 2020 |
| Tuning the absorption and optoelectronic properties of naphthalene diimide based solar cells with non-fullerene acceptors U Ali, A Tariq, A Kiran, F Abbas, MT Khalil Chemical Papers 75, 4327-4336, 2021 | 12 | 2021 |
| Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based ADA organic solar cells: A step toward new strategies for better … F Abbas, U Ali, HMR Ahmad, A Tallat, A Shehzad, Z Zeb, I Hussain, ... Optical and Quantum Electronics 54, 1-15, 2022 | 10 | 2022 |
| Theoretical study of isoxazoles and their derivatives for evaluating its pharmaceutical properties with density functional theory Z Hussain, M Shoaib, U Ali, H Ramzan, M Ali, A Tariq, M Naqash J Comput Chem Mol Model 4 (3), 415-426, 2020 | 10 | 2020 |
| An extension of electron acceptor sites around Thiazolothiazole unit for evaluation of large power conversion efficiency: A theoretical insight U Ali, F Abbas Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 281, 121610, 2022 | 8 | 2022 |
| Molecular designing of tetra-aryl-p-benzoquinones derivatives toward strong optical properties A Kiran, U Ali, A Hussain, HMR Ahmad, F Abbas, TA Memon, A Hussain Chemical Papers 75, 6661-6671, 2021 | 7 | 2021 |
| The conformational control of small DAD organic solar cells for large power conversion efficiency: A deep quantum chemistry analysis U Ali, H Etabti, HMR Ahmad, SU Zafar Computational and Theoretical Chemistry 1215, 113831, 2022 | 5 | 2022 |
| Designing four naphthalene di-imide based small organic solar cells with 5, 6-difluoro-3-oxo-2, 3-dihydro-indene non-fullerene acceptors U Ali, HMR Ahmad, M Faizan, A Kiran, MT Khalil Optical and Quantum Electronics 53 (9), 541, 2021 | 4 | 2021 |
| Switching the Luminescence between TADF and RTP for Organic D‐A‐D Emitters: The Role of D‐A Connection Modes U Ali, G Han, Y Yi Advanced Theory and Simulations 6 (2), 2200725, 2023 | 1 | 2023 |
| Effect of Alkaline Pretreatment on the Properties of Nigerian Castor Seed (Ricinus communis L.) Oil and Biodiesel Produced Thereof JI Orege, AO Adeyemo, OF Adeyinka, OB Omitola, A Usman, EI Adeyeye Oriental Journal of Chemistry 36 (1), 106, 2020 | 1 | 2020 |
| Quantum chemical study of symmetricalnon-fullerene acceptor chromophores for organic photovoltaics R Kacimi, U Ali, A Azaid, S Sarfaraz, M Raftani, L Bejjit, M Bouachrine Computational and Theoretical Chemistry 1233, 114475, 2024 | | 2024 |
Muhammad ShoaibUniversity of Agriculture, FaisalabadVerified email at uaf.edu.pk
