Hemamalini Rajagopal

Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine

S. Janani, Hemamalini Rajagopal, S. Muthu et al. · Journal of Molecular Structure · 2020 · 199 citations

Biochemistry, Natural Sciences, Chemical Reactivity +4

Spectroscopic (FT-IR, FT-RAMAN, NMR, UV–Vis) investigations, computational analysis and molecular docking study of 5-bromo-2-hydroxy pyrimidine

B. Chandralekha, Hemamalini Rajagopal, S. Muthu et al. · Journal of Molecular Structure · 2020 · 44 citations

Molecular Spectroscopy, Engineering, Biochemistry +8

Structural, electronic properties (different solvents), chemical reactivity, ELF, LOL, spectroscopic insights, molecular docking and in vitro anticancer activity studies on methyl (4-nitro-1-imidazolyl)acetate

S. Janani, Hemamalini Rajagopal, S. Muthu et al. · Journal of the Indian Chemical Society · 2022 · 33 citations

Medicinal Chemistry, Biochemistry, Natural Sciences +9

Molecular structure, electronic properties, ESP map (polar aprotic and polar protic solvents), and topology investigations on 1-(tert‑Butoxycarbonyl)-3-piperidinecarboxylic acid- Anticancer therapeutic agent

S. Janani, Hemamalini Rajagopal, S. Sakthivel et al. · Journal of Molecular Structure · 2022 · 31 citations

Medicinal Chemistry, Topology Investigations, Engineering +8

Structural, vibrational, electronic properties, hirshfeld surface analysis topological and molecular docking studies of N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide

S. Janani, Hemamalini Rajagopal, S. Muthu et al. · Heliyon · 2021 · 20 citations · Full text