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 · 207 citations

Pharmacy, Chemistry, Medicinal Chemistry +14

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 · 45 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

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

Pharmacy, Chemistry, Medicinal Chemistry +16

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

Pharmacy, Chemistry, Medicinal Chemistry +17

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 · 21 citations · Full text

Natural Sciences, Chemistry, Physics +17