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 and thermodynamical parameters of hydrogen bonded complexes for Heptanamide and Pentanamide with halogenated phenols in benzene AA Basha, FLA Khan, BHK Hussain Journal of Molecular Liquids 363, 119853, 2022 | 15 | 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 |
Dielectric relaxation and dipole moment studies of hydrogen bonded complexes for enanthamide and valeramide with halogenated phenols using J-band microwave frequency AA Basha, FLA Khan, P Muzammil, GS Fasiuddin Materials Research Express 9 (7), 075303, 2022 | 11 | 2022 |
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 |
Relaxation in dielectric studies, hydrogen bonded complexes of hexanamide and octanamide with 4-halophenols using X and J-bands microwave frequency AA Basha, FLA Khan Materials Today: Proceedings 57, 2364-2371, 2022 | 5 | 2022 |
Dielectric studies of hydrogen bonded complexes of C= O compounds with substituted phenols using frequency domain technique AA Basha, FLA Khan, S Muthu Journal of Advanced Scientific Research 12 (02 Suppl 1), 180-185, 2021 | 4 | 2021 |
Dielectric relaxation studies of hydrogen bonded complexes of benzamide and acetamide with halogenated phenols using x-band microwave frequency BA Aathif, KF Liakath Ali ASEAN Journal on Science and Technology for Development 38 (3), 4, 2021 | 4 | 2021 |
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 |
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 |
Dielectrics relaxation studies of acrylamide and acetanilide with halogenated phenols in benzene AA Basha, F Khan AIP Conference Proceedings 2492 (1), 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 |
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 |
Design, Transport/Molecular Scale Electronics, Electric Properties, and a Conventional Quantum Study of a New Potential Molecular Switch for Nanoelectronic Devices H Hadi, B Gassoumi, S Nasr, R Safari, AA Basha, PM Imran, H Ghalla, ... ACS omega 9 (1), 1029-1041, 2023 | | 2023 |
Dielectric Relaxation Studies of Acetates with Phenol Derivatives in Ccl4 A Parthiban, AA Basha International Journal of Science and Humanities 7 (2), 184-194, 2021 | | 2021 |
DIELECTRIC RELAXATION STUDIES OF ACRYLAMIDE WITH GLYCOLS IN NON-POLAR SOLVENTS USING FREQUENCY DOMAIN TECHNIQUE AA Basha, FLA Khan International Journal of SCIENCE AND HUMANITIES 6 (1), 1-8, 2020 | | 2020 |
DIELECTRIC RELAXATION STUDIES OF MOLECULAR ASSOCIATION: COMPLEXING OF ALKYL METHACRYLATES WITH PHENOL DERIVATIVES IN THE MW REGION AA BASHA, FLALI KHAN, B THAMZIKKO International Journal of Science and Humanities 3 (2), 139, 2018 | | 2018 |
Dielectric Relaxation Phenomenon between Aniline and 2-Alkoxyethanols in Different Non Polar Solvents by Frequency Domain Technique ISA Basha¹, AA Basha, FLA Khan | | 2017 |