| Applications of the Vienna Ab initio simulation package, DFT and molecular interaction studies for investigating the electrochemical stability and solvation performance of non … A Kubaib, PM Imran, AA Basha Computational and Theoretical Chemistry 1217, 113934, 2022 | 17 | 2022 |
| Dielectric relaxation, dipole moment, electronic characterization and non-covalent interaction behavior of valeramide and halo-phenol in non-polar liquid: A density functional … AA Basha, FLA Khan, S Muthu, PM Imran, A Kubaib Journal of Molecular Liquids 370, 121027, 2023 | 14 | 2023 |
| Fabrication of Li, Na and K electrolytes with doping elements for improved efficiency based on MOT and symmetry A Kubaib, PM Imran Journal of the Indian Chemical Society 100 (1), 100804, 2023 | 11 | 2023 |
| Application of lithium and a few relevant electrolytes evaluated as secondary batteries studied using molecular descriptors, band structure and DOS A Kubaib, PM Imran Journal of Materials Science 58 (9), 4005-4019, 2023 | 6 | 2023 |
| Novel Benzimidazole linked piperidine derivatives screened for antibacterial and antioxidant properties with Density Functional and Molecular Mechanic tools M Selvakumaran, MI Predhanekar, A Kubaib, D Visagaperumal Results in Chemistry 5, 100765, 2023 | 6 | 2023 |
| Valeramide and halo-phenol in a non-polar liquid: DFT based characterization and reactivity, non-covalent interaction, and dielectric relaxation studies AA Basha, FL Ali Khan, P Mohamed Imran, A Kubaib Polycyclic Aromatic Compounds, 1-26, 2023 | 5 | 2023 |
| Novel acridone derivatives probed using DFT, including design, synthesis, characterization with anti-oxidant and anti-mitotic screening S Sulthanudeen, PM Imran, M Selvakumaran, A Kubaib Results in Chemistry 5, 100753, 2023 | 4 | 2023 |
| Exploring the antiviral potency of γ-FP and PA compounds: Electronic characterization, non-covalent interaction analysis and docking profiling with emphasis on QTAIM aspects AA Basha, A Kubaib, M Azam Computational and Theoretical Chemistry 1231, 114412, 2024 | 3 | 2024 |
| Ternary Mixture of Pentanamide in Solvent Analogy with Halogenated Phenol: Experimental, Theoretical, and In Silico Biological Studies AA Basha, FL Ali Khan, A Kubaib, PM Imran, N Nebbache ACS omega 8 (37), 33928-33942, 2023 | 3 | 2023 |
| Utilizing Sida Acuta leaves for low-cost adsorption of chromium (VI) heavy metal with activated charcoal SM Ramraj, A Kubaib, PM Imran, MK Thirupathy Journal of Hazardous Materials Advances 11, 100338, 2023 | 3 | 2023 |
| Investigations into the anti-inflammatory and anti-diabetic activity of newly synthesized derivatives of 4AP2BOB utilizing DFT, molecular docking and spectroscopic characterization M Selvakumaran, PM Imran, A Kubaib, M Azam, AA Basha, SI Al-Resayes Journal of Molecular Liquids 396, 123983, 2024 | 2 | 2024 |
| Chelation Agent As Potential Target Antioxidant: DFT, Physicochemical Properties, Topological Analysis, and Molecular Docking Studies into Intramolecular Interactions A Kubaib, PM Imran, K Anandaratchagan, M Selvakumaran, ... Russian Journal of Physical Chemistry A 97 (12), 2884-2893, 2023 | 1 | 2023 |
| Solvation model, vibrational analysis, electronic level, non-covalent interactions and molecular docking investigations of 6-Chloro-2-(4-Aminophenyl)-1H-Benzimidazole GS Fasiuddin, AA Basha, A Kubaib, M Azam, P Muzammil, G Bouzid, ... Journal of Molecular Liquids, 124315, 2024 | | 2024 |
| Insights into the binding mechanism of 2, 5‐substituted 4‐pyrone derivatives as therapeutic agents for fused dimeric interactions: A computational study using QTAIM, dynamics … A Kubaib, NN Afroze, PM Imran, P Natarajan, D Balu, A Ansari International Journal of Quantum Chemistry 124 (3), e27330, 2024 | | 2024 |
| Exploring High-Performance Functionalized Corannulene Dimers: A DFT-Based Investigation for Novel Photovoltaic Applications H Hadi, B Chouchen, S Nasr, G Bouzid, I Chérif, A Basha, A Kubaib, ... Synthetic Metals, 117543, 2024 | | 2024 |
Mohamed Imran PredhanekarAssociate Professor of Chemistry, Islamiah College (Autonomous), VaniyambadiVerified email at islamiahcollege.edu.in
