| Spectroscopic characterization (IR, UV-Vis), and HOMO-LUMO, MEP, NLO, NBO analysis and the antifungal activity for 4-bromo-N-(2-nitrophenyl) benzamide; using DFT modeling and … SK Alghamdi, F Abbas, RK Hussein, AG Alhamzani, NT El‐Shamy Journal of Molecular Structure 1271, 134001, 2023 | 51 | 2023 |
| Trapping of CO, CO2, H2S, NH3, NO, NO2, and SO2 by polyoxometalate compound MD Mohammadi, F Abbas, H Louis, GE Mathias, TO Unimuke Computational and Theoretical Chemistry 1215, 113826, 2022 | 44 | 2022 |
| Intermolecular interactions between nitrosourea and polyoxometalate compounds MD Mohammadi, F Abbas, H Louis, LE Afahanam, TE Gber ChemistrySelect 7 (36), e202202535, 2022 | 36 | 2022 |
| Design of new bithieno thiophene (BTTI) central core-based small molecules as efficient hole transport materials for perovskite solar cells and donor materials for organic … F Abbas, MD Mohammadi, H Louis, IO Amodu, DE Charlie, TE Gber Materials Science and Engineering: B 291, 116392, 2023 | 31 | 2023 |
| 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 | 25 | 2022 |
| Integrated network pharmacology and in-silico approaches to decipher the pharmacological mechanism of Selaginella tamariscina in the treatment of non-small cell lung cancer S Kumar, F Abbas, I Ali, MK Gupta, S Kumar, M Garg, D Kumar Phytomedicine plus 3 (2), 100419, 2023 | 23 | 2023 |
| The broad-spectrum antiviral recommendations for drug discovery against COVID-19 A Hazafa, K Ur-Rahman, I Haq, N Jahan, M Mumtaz, M Farman, H Naeem, ... Drug metabolism reviews 52 (3), 408-424, 2020 | 22 | 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 | 20 | 2022 |
| Development of sustainable superhydrophobic coatings on aluminum substrate using magnesium nanoparticles for enhanced catalytic activity, self-cleaning, and corrosion resistance N Hassan, MM Fadhali, S Al-Sulaimi, MS Al-Buriahi, KM Katubi, ... Journal of Molecular Liquids 383, 122085, 2023 | 16 | 2023 |
| Advancing optoelectronic performance of organic solar cells: computational modeling of non-fullerene donor based on end-capped triphenyldiamine (TPDA) molecules MD Mohammadi, F Abbas, H Louis, OJ Ikenyirimba, GE Mathias, F Shafiq Computational and Theoretical Chemistry 1226, 114201, 2023 | 13 | 2023 |
| Regulating the anode corrosion by a tryptophan derivative for alkaline Al–air batteries Y Huang, L Guo, Q Zhang, W Shi, W Feng, F Abbas, X Zheng, S Leng, ... Langmuir 39 (17), 6018-6028, 2023 | 13 | 2023 |
| 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 | 13 | 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 | 12 | 2022 |
| Increasing the photovoltaic power of the organic solar cells by structural modification of the R-P2F-based materials M Doust Mohammadi, F Abbas, M Arshad, F Shafiq, H Louis, TO Unimuke, ... Journal of Molecular Modeling 29 (8), 237, 2023 | 11 | 2023 |
| In-silico identification of small molecule benzofuran-1, 2, 3-triazole hybrids as potential inhibitors targeting EGFR in lung cancer via ligand-based pharmacophore modeling and … S Kumar, I Ali, F Abbas, N Khan, MK Gupta, M Garg, S Kumar, D Kumar In Silico Pharmacology 11 (1), 20, 2023 | 10 | 2023 |
| Halides (Cl, F, and Br) encapsulated Ga12As12 nanocages used to improve the cell voltage for enhanced battery performance MD Mohammadi, F Abbas, H Louis, IO Amodu Journal of Physics and Chemistry of Solids 174, 111174, 2023 | 10 | 2023 |
| The spin-polarized electronic and optical properties of novel Ba2TaXO6 (X= Co, Fe, In) for optoelectronic applications: An ab-initio study A Ali, MS Khan, G Khan, B Gul, AM Tawfeek, S Azam, F Abbas, S Zulfiqar, ... Journal of Solid State Chemistry 326, 124211, 2023 | 9 | 2023 |
| High-performance non-fullerene acceptor-analogues designed from dithienothiophen [3, 2-b]-pyrrolobenzothiadiazole (TPBT) donor materials F Abbas, MD Mohammadi, H Louis, EC Agwamba Journal of Molecular Modeling 29 (1), 31, 2023 | 9 | 2023 |
| 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 |
