V.S. Jeba Reeda

Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1-naphthyl)ethylenediamine dihydrochloride

V.S. Jeba Reeda, S. Sakthivel, P. Divya et al. · Journal of Molecular Structure · 2023 · 76 citations

Engineering, Natural Sciences, Conformational Stability +9

Vibrational spectroscopic, quantum computational (DFT), reactivity (ELF, LOL and Fukui), molecular docking studies and molecular dynamic simulation on (6-methoxy-2-oxo-2H-chromen-4-yl) methyl morpholine-4-carbodithioate

V.S. Jeba Reeda, V. Bena Jothy · Journal of Molecular Liquids · 2022 · 55 citations

Molecular Docking Studies, Engineering, Medicine +9

Synthesis, solvent polarity(polar and nonpolar), structural and electronic properties with diverse solvents and biological studies of (E)-3-((3-chloro-4-fluorophenyl) imino) indolin-2-one

V.S. Jeba Reeda, V. Bena Jothy, Mohd Asif et al. · Journal of Molecular Liquids · 2023 · 40 citations

Engineering, Fluorous Synthesis, Solvent Polarity +6

Fungicide compound 2, 3-dichloronaphthalene-1, 4-dione: Non-covalent interactions (QTAIM, RDG and ELF), combined vibrational spectroscopic investigations using DFT approach with experimental analysis, electronic, molecular docking scrutiny in-vitro assay and thermodynamic property analysis

P. Divya, V.S. Jeba Reeda, V. Bena Jothy · Journal of Molecular Liquids · 2024 · 37 citations · Full text

Structural activity, spectroscopic, Fukui, NCI, AIM, IGM combined with molecular docking and molecular dynamics simulation on 4-methylpyridinium 4-hydroxybenzoate-potent drug anti-leukemia cancer

P. Divya, V.S. Jeba Reeda, R. Suja et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2023 · 36 citations

Medicinal Chemistry, Medicine, Natural Sciences +10