S. Selvakumari

RETRACTED: Vibrational spectroscopy, quantum computational and molecular docking studies on 2-chloroquinoline-3-carboxaldehyde

A. Saral, P.N. Sudha, S. Muthu et al. · Heliyon · 2021 · 25 citations · Full text

Solvent effect on molecular, electronic parameters, topological analysis and Fukui function evaluation with biological studies of imidazo [1, 2-a] pyridine-8-carboxylic acid

S. Selvakumari, Krishna Murthy Potla, D. Shanthi et al. · Journal of Molecular Liquids · 2023 · 24 citations

Fukui Function Evaluation, Engineering, Chemical Analysis +8

Quantum mechanical, spectroscopic vibrational analysis, NBO, HOMO-LUMO, and molecular docking studies on 2-Chloroquinoline-3-Carboxamide

A. Saral, P.N. Sudha, S. Muthu et al. · Materials Today Proceedings · 2020 · 19 citations

Molecular Docking Studies, Engineering, Natural Sciences +8

Evaluation of electronic properties in different solvents, spectroscopic exposition (FT-IR, FT-Raman), and molecular docking studies of 5-Chloro-2-hydroxypyridine - insulysin inhibitor

S. Selvakumari, C. Venkataraju, S. Muthu et al. · Journal of Molecular Liquids · 2021 · 17 citations

Medicinal Chemistry, Engineering, Biochemistry +9

Effect of solvent role in electronic properties, band gap, electron injection barrier, charge transport nature, topology studies (ELF, LOL, RDG), and optical properties of azoles for multifunctional applications

Ahmad Irfan, Mohamed Hussien, Aijaz Rasool Chaudhry et al. · Journal of Molecular Liquids · 2023 · 17 citations

Materials Science, Solid-state Ionic, Organic Charge-transfer Compound +13