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 | 28 | 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 | 18 | 2023 |
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 | 17 | 2022 |
Electrochemical behaviour of tin in alkali solutions containing halides SN Begum, A Basha, VS Muralidharan, CW Lee Materials Chemistry and Physics 132 (2-3), 1048-1052, 2012 | 16 | 2012 |
Organo-functionalized metal–oxide clusters: synthesis and characterization of the reduced cationic species [NaV IV 6 O 6 {(OCH 2 CH 2) 2 NH} 6]+ MI Khan, Y Zheng, H Li, L Swenson, A Basha, RJ Doedens Dalton Transactions 43 (43), 16509-16514, 2014 | 13 | 2014 |
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 | 12 | 2022 |
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 | 10 | 2024 |
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 | 9 | 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 | 8 | 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 | 8 | 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 398, 124315, 2024 | 6 | 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 | 6 | 2023 |
Influence of nitrogen exchange in the core-shell structure of naphthalenediimide molecules on the advancement of quantum electronic properties H Hadi, AMA Mahmoud, I Cherif, R Safari, B Gassoumi, B Abdelaziz, ... Synthetic Metals 309, 117748, 2024 | 5 | 2024 |
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 44 (10), 6421-6447, 2024 | 5 | 2024 |
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 |
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 | 4 | 2023 |
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 |
Unveiling multifunctional inhibitors: holistic spectral, electronic and molecular characterization, coupled with biological profiling of substituted pyridine derivatives … SY Begum, PM Imran, A Kubaib, MT Yassin, FO Al-Otibi, M Selvakumaran, ... RSC advances 14 (41), 29896-29909, 2024 | 3 | 2024 |
Dielectrics relaxation studies of acrylamide and acetanilide with halogenated phenols in benzene AA Basha, F Khan AIP Conference Proceedings 2492 (1), 2023 | 1 | 2023 |