M. Vennila

Theoretical structural analysis (FT-IR, FT-R), solvent effect on electronic parameters NLO, FMO, NBO, MEP, UV (IEFPCM model), Fukui function evaluation with pharmacological analysis on methyl nicotinate

M. Vennila, R. Rathikha, S. Muthu et al. · Computational and Theoretical Chemistry · 2022 · 66 citations

Medicinal Chemistry, Chemical Analysis, Natural Sciences +10

Theoretical spectroscopic electronic elucidation with different solvents (IEFPCM model), biological assessment and molecular docking studies on Moroxydine-Antiviral drug agent

M. Vennila, R. Rathikha, S. Muthu et al. · Journal of Molecular Liquids · 2022 · 21 citations

Combinatorial Chemistry, Molecular Docking Studies, Medicinal Chemistry +12

RETRACTED: Structural, spectral inspection, electronic properties in different solvents, Fukui functions, 6-acetyl-2H-1,4-benzoxazin-3(4H)-one – Multiple sclerosis and auto immune disorders therapeutics

M. Vennila, R. Rathikha, S. Muthu et al. · Journal of Molecular Liquids · 2022 · 18 citations

Structural vibrational analysis (FT-IR, FT-Raman), electronic studies based on solvents (UV–Vis, non-linear optics, frontier molecular orbitals, molecular electrostatic potential, natural bond orbital and Fukui evaluation) and Hirshfeld surface analysis on 4-chloroacetophenone

M. Vennila, R. Rathikha, S. Muthu et al. · Journal of the Indian Chemical Society · 2022 · 13 citations

Chemical Engineering, Molecular Spectroscopy, Engineering +8

Molecular structure, electronic, structural, topological analyses with solvents (water, chloroform, acetone and benzene) based on IEFPCM investigation and Hirshfeld analysis on 2-acetyl pyridine

M. Vennila, S. Muthu, A. Senthil et al. · Journal of Molecular Liquids · 2023 · 10 citations