Attar Kubaib

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

Attar Kubaib, Predhanekar Mohamed Imran, A. Aathif Basha · Computational and Theoretical Chemistry · 2022 · 42 citations

Materials Science, Solid-state Ionic, Chemical Engineering +12

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

Hamid Hadi, Bilel Chouchen, Samia Nasr et al. · Synthetic Metals · 2024 · 25 citations

Organic Charge-transfer Compound, Engineering, Organic Electronics +11

Application of lithium and a few relevant electrolytes evaluated as secondary batteries studied using molecular descriptors, band structure and DOS

Attar Kubaib, Predhanekar Mohamed Imran · Journal of Materials Science · 2023 · 24 citations

Materials Science, Electrolytes, Secondary Batteries +14

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

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

Materials Science, Engineering, Physicochemical Analysis +9

Utilizing Sida Acuta leaves for low-cost adsorption of chromium (VI) heavy metal with activated charcoal

S.M. Ramraj, Attar Kubaib, Predhanekar Mohamed Imran et al. · Journal of Hazardous Materials Advances · 2023 · 21 citations · Full text

Chemical Engineering, Environmental Chemistry, Sida Acuta +15