S
S. Sevvanthi
Publications - 12
Citations - 226
S. Sevvanthi is an academic researcher. The author has contributed to research in topics: Natural bond orbital & HOMO/LUMO. The author has an hindex of 5, co-authored 8 publications receiving 109 citations.
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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 receptor agonist antihypertensive agent
TL;DR: In this paper, the molecular structure of the title compound has been investigated using experimental (FT-IR, FT-Raman and NMR) and theoretical (DFT) techniques.
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Molecular docking, vibrational spectroscopy studies of (RS)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one: A potential adrenaline uptake inhibitor
S. Sevvanthi,S. Muthu,M. Raja +2 more
TL;DR: In this article, the 2B3CP molecule with Adrenaline uptake inhibitor (PDB ID: 2AN5) protein act as neurotransmitter for Central nervous system (CNS) drug discovery.
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Spectral, DFT and molecular docking investigations on Etodolac
TL;DR: In this paper, the optimized molecular geometry and vibrational wave numbers were calculated by employing the method of DFT and B3LYP/6-311++G(d, p) basis set.
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Quantum mechanical, spectroscopic studies and molecular docking analysis on 5,5-diphenylimidazolidine-2,4-dione
S. Sevvanthi,S. Muthu,M. Raja +2 more
TL;DR: The structural, vibrational and electronic properties of 5,5-diphenylimidazolidine-2,4-dione (55D24D) were presented using the B3LYP method with 6-311++G(d,p) basis set as discussed by the authors.
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Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV-VIS), chemical reactivity and biological examinations of Ketorolac
TL;DR: In this article, the optimized molecular geometry and vibrational wave numbers were calculated by DFT combined B3LYP/6-311++G (d, p) basis set, and detailed vibrational assignments were carried out using VEDA program.