Author

A. Aathif Basha

Observed names: A Aathif Basha, Aathif Basha

Institutions: Thiruvalluvar University, Visvesvaraya Technological University

Observed institutions: Thiruvalluvar University, Visvesvaraya Technological University

ORCID: 0000-0002-0415-327X

Observed ORCID: 0000-0002-0415-327X

OpenAlex ID: A5036955018

Applications of the Vienna Ab initio simulation package, DFT and molecular interaction studies for investigating the electrochemical stability and solvation performance of non-aqueous NaMF6 electrolytes for sodium-ion batteries

2022 · Attar Kubaib, Predhanekar Mohamed Imran, et al. · Computational and Theoretical Chemistry · 50

Exploring high-performance functionalized corannulene dimers: A DFT-based investigation for novel photovoltaic applications

2024 · Hamid Hadi, Bilel Chouchen, et al. · Synthetic Metals · 34

Influence of nitrogen exchange in the core-shell structure of naphthalenediimide molecules on the advancement of quantum electronic properties

2024 · Hamid Hadi, Ahmed Mahmoud Ahmed Mahmoud, et al. · Synthetic Metals · 27

Design, Transport/Molecular Scale Electronics, Electric Properties, and a Conventional Quantum Study of a New Potential Molecular Switch for Nanoelectronic Devices

2023 · Hamid Hadi, Bouzid Gassoumi, et al. · ACS Omega · 25

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Dielectric relaxation, dipole moment, electronic characterization and non-covalent interaction behavior of valeramide and halo-phenol in non-polar liquid: A density functional theory-based approach

2022 · A. Aathif Basha, F. Liakath Ali Khan, et al. · Journal of Molecular Liquids · 24

Dielectric relaxation and thermodynamical parameters of hydrogen bonded complexes for Heptanamide and Pentanamide with halogenated phenols in benzene

2022 · A. Aathif Basha, F. Liakath Ali Khan, et al. · Journal of Molecular Liquids · 23

Solvation model, Vibrational analysis, Electronic level, Non-Covalent interactions and Molecular docking investigations of 6-Chloro-2-(4-Aminophenyl)-1H-Benzimidazole

2024 · G.S Fasiuddin, A. Aathif Basha, et al. · Journal of Molecular Liquids · 16

Exploring the antiviral potency of γ-FP and PA compounds: Electronic characterization, non-covalent interaction analysis and docking profiling with emphasis on QTAIM aspects

2023 · A. Aathif Basha, Attar Kubaib, et al. · Computational and Theoretical Chemistry · 16

Unveiling multifunctional inhibitors: holistic spectral, electronic and molecular characterization, coupled with biological profiling of substituted pyridine derivatives against LD transpeptidase , heme oxygenase and PPAR gamma

2024 · Shaik Yasmin Begum, Predhanekar Mohamed Imran, et al. · RSC Advances · 15

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Investigations into the anti-inflammatory and anti-diabetic activity of newly synthesized derivatives of 4AP2BOB utilizing DFT, molecular docking and spectroscopic characterization

2024 · M. Selvakumaran, Predhanekar Mohamed Imran, et al. · Journal of Molecular Liquids · 13

Valeramide and Halo-phenol in a Non-polar Liquid: DFT Based Characterization and Reactivity, Non-covalent Interaction, and Dielectric Relaxation Studies

2023 · A. Aathif Basha, F. Liakath Ali Khan, et al. · Polycyclic aromatic compounds · 10

Dielectric relaxation and dipole moment studies of hydrogen bonded complexes for enanthamide and valeramide with halogenated phenols using J-band microwave frequency

2022 · A Aathif Basha, F Liakath Ali Khan, et al. · Materials Research Express · 10

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Chelation Agent As Potential Target Antioxidant: DFT, Physicochemical Properties, Topological Analysis, and Molecular Docking Studies into Intramolecular Interactions

2023 · Attar Kubaib, Predhanekar Mohamed Imran, et al. · Russian Journal of Physical Chemistry A · 9

Ternary Mixture of Pentanamide in Solvent Analogy with Halogenated Phenol: Experimental, Theoretical, andIn SilicoBiological Studies

2023 · A. Aathif Basha, F. Liakath Ali Khan, et al. · ACS Omega · 6

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Relaxation in dielectric studies, hydrogen bonded complexes of hexanamide and octanamide with 4-halophenols using X and J-bands microwave frequency

2022 · A. Aathif Basha, F. Liakath Ali Khan · Materials Today Proceedings · 6

Comprehensive Theoretical, Spectroscopic, Solvent, Topological and Antimicrobial investigation of 5-Chloro-6-fluoro-2-(2-pyrazinyl)-1H-benzimidazole

2025 · Fasiuddin G. S, A. Aathif Basha, et al. · Scientific Reports · 5

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Dielectric Relaxation Studies of Hydrogen Bonded Complexes of Benzamide and Acetamide with Halogenated Phenols Using X-band Microwave Frequency

2021 · A. Aathif Basha, F. Liakath Ali Khan · ASEAN Journal on Science and Technology for Development · 4

Green synthesis, characterization, and therapeutic potential of 2-(Thiophen-2-ylmethylene)malononitrile: Insights into molecular interactions with cyclooxygenase-2 (COX-2)

2025 · Sumaiya Tabassum, A. Aathif Basha, et al. · Journal of Molecular Structure · 2

Dielectric relaxation studies of propanamide and Butanamide with halogenated phenols in benzene

2024 · A. Aathif Basha, F. Liakath Ali Khan · AIP conference proceedings · 2

Dielectrics relaxation studies of acrylamide and acetanilide with halogenated phenols in benzene

2023 · A. Aathif Basha, F. Liakath Ali Khan · AIP conference proceedings · 2

Works count: 20

Citation count: 299

H-index: 10

I10-index: 12