Molecular structure, physicochemical properties, impact of solvents ionization potential, electron occupancy, inhibition constant, and stabilization energy investigations of 4-acet... von Rajasekar, R., Devi, T.S. Renuga, Janani, S., Raja, M., Kumar, Sunil, Ramesh, P., Muthu, S., Javed, Saleem

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DFT, molecular docking and experimental FT-IR, FT-Raman, NMR inquisitions on “4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine”: Alpha-2-imidazoline re... von Aayisha, S., Renuga Devi, T.S., Janani, S., Muthu, S., Raja, M., Sevvanthi, S.

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Spectroscopic and quantum chemical investigations on structural isomers of dihydroxybenzene von Selvaraj, S., Rajkumar, P., Kesavan, M., Gunasekaran, S., Kumaresan, S., Rajasekar, R., Renuga Devi, T.S.

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Ab initio and density functional theory calculations of molecular structure and vibrational spectra of 4-(2-Hydroxyethyl) piperazine-1-ethanesulfonic acid von Kumar, J. Sharmi, Devi, T.S. Renuga, Ramkumaar, G.R., Bright, A.

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DFT simulations and vibrational spectra of 2-amino-2-methyl-1,3-propanediol von Renuga Devi, T.S., Sharmi kumar, J., Ramkumaar, G.R.

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Structural (PES), AIM, spectroscopic profiling (FT-IR, FT-Raman, NMR and UV), HOMO-LUMO and docking studies of 2,2-dimethyl-N-(2-pyridinyl)propanamide – a DFT approach von Aayisha, S., Renuga Devi, T.S., Janani, S., Muthu, S., Raja, M., Hemamalini, R.

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DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid von Renuga Devi, T.S., Sharmi kumar, J., Ramkumaar, G.R.

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Quantum chemical studies on structural, vibrational, NBO and hyperpolarizability of N-(1,1-Dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid von Renuga Devi, T.S., Sharmi kumar, J., Ramkumaar, G.R.

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Thermal Analysis and Structural Characterization Studies of Calcite Mineral at Different Microns von Devi, T.S. Renuga, Gayathri, S.

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