S. Sangeetha Margreat

Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one

S. Sangeetha Margreat, S. Ramalingam, Helmi Mohammed Al‐Maqtari et al. · Chemical Data Collections · 2021 · 72 citations

Natural Sciences, Chemistry, Physics +14

DFT, spectroscopic, DSC/TGA, electronic, biological and molecular docking investigation of 2,5-thiophenedicarboxylic acid: A promising anticancer agent

S. Sangeetha Margreat, S. Ramalingam, S. Sebastian et al. · Journal of Molecular Structure · 2019 · 35 citations

Pharmacy, Chemistry, Medicinal Chemistry +11

Exploring molecular structure (monomer & dimer), spectroscopic (FT-IR, FT-Raman, UV-Vis, NMR), TG/DTA, antibacterial and molecular docking investigation on 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy] acetic acid by DFT and wavefunction analysis

S. Asokan, S. Sebastian, B. Karthikeyan et al. · Chemical Physics Impact · 2024 · 19 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

An antipsychotic drug: Spectroscopic identification, structural features, DFT computations and molecular docking studies on 4-(methylamino)-3-nitrobenzoic acid

M. Maria Julie, S. Sangeetha Margreat, D.R. Leenaraj et al. · Journal of Molecular Structure · 2019 · 11 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17