S Sevvanthi

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Publications (24)

• Quantum computational, spectroscopic, topological investigations and molecular docking studies on piperazine derivatives: A comparative study on Ethyl, Benzene and Furan sulfonyl Piperazine
  Journal of Molecular Structure 2023 DOI: 10.1016/j.molstruc.2022.134324
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• The chemical reactivity and antimalarial investigation of crystal structure (2E)-3-(biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one and hydroxyphenyl, nitrophenyl substituted chalcone derivative molecules
  Journal of Molecular Structure 2023 DOI: 10.1016/j.molstruc.2023.135001
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• A Combined Experimental and Theoretical Studies on Noncentrosymmetric NLO Single Crystal of L-Norvalinium Hydrogen Maleate
  AIP Conference Proceedings 2023 DOI: 10.1063/5.0141004
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• Electronic properties (in different solvents), spectroscopic progression and evaluation on 4-morpholinepropane sulfonic acid along with molecular docking analysis
  Journal of Molecular Liquids 2022 DOI: 10.1016/j.molliq.2021.118107
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• Molecular docking evaluation and spectroscopic study of 2-amino-1,4-benzenedisulfonic acid using the IEFPCM model, electronic properties of different solvents
  Journal of the Indian Chemical Society 2022 DOI: 10.1016/j.jics.2022.100543
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• Molecular structure spectroscopic Elucidation, IEFPCM solvation (UV–Vis, MEP, FMO, NBO, NLO), molecular docking and biological assessment studies of lepidine (4-Methylquinoline)
  Journal of Molecular Liquids 2022 DOI: 10.1016/j.molliq.2021.118249
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• Molecular Docking, Structural Examination, Reactive Sites Identification (Homo–Lumo, Mep) of 6-Phenylpteridine 2, 4, 7-triamine: Potential Bacterial Inhibitor
  Analytical Chemistry Letters 2021 DOI: 10.1080/22297928.2021.1978315
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• Spectroscopic (FT-IR, FT-Raman, UV-Visible), Quantum Mechanical Based Computational Studies and Molecular Docking Analysis of 2-Amino-3,5-dichloropyridine
  Analytical Chemistry Letters 2021 DOI: 10.1080/22297928.2021.1981440
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• Vibrational spectroscopy, quantum computational and molecular docking studies on 2-chloroquinoline-3-carboxaldehyde
  Heliyon 2021 DOI: 10.1016/j.heliyon.2021.e07529
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• PES, molecular structure, spectroscopic (FT-IR, FT-Raman), electronic (UV-Vis, HOMO-LUMO), quantum chemical and biological (docking) studies on a potent membrane permeable inhibitor: dibenzoxepine derivative
  Heliyon 2020 DOI: 10.1016/j.heliyon.2020.e04724
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