S Xavier

Employment

• St Joseph's College of Arts and Science Head
  2011 - 2034

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (22)

• Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one
  Chemical Data Collections 2021 DOI: 10.1016/j.cdc.2021.100701
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• DFT, spectroscopic, DSC/TGA, electronic, biological and molecular docking investigation of 2,5-thiophenedicarboxylic acid: A promising anticancer agent
  Journal of Molecular Structure 2020 DOI: 10.1016/j.molstruc.2019.127099
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• Synthesis, spectral characterization (FT-IR, FT-Raman and NMR) and Quantum computational analysis of (E)-1-(4-Bromophenyl)-3-(5-bromothiophen-2-yl)prop‑2-en-1-one
  Chemical Data Collections 2020 DOI: 10.1016/j.cdc.2020.100415
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• Structural, spectroscopic, Hirshfeld surface and charge distribution analysis of 3-(1H-imidazole-1-yl)-1-phenylpropan-1-ol complemented by molecular docking predictions: An integrated experimental and computational approach
  Journal of Molecular Structure 2019 DOI: 10.1016/j.molstruc.2019.07.003
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• Probing vibrational activities, electronic properties, molecular docking and Hirshfeld surfaces analysis of 4-chlorophenyl ({[(1E)-3-(1H-imidazol-1-yl)-1-phenylpropylidene]amino}oxy)methanone: A promising anti-Candida agent
  Journal of Molecular Structure 2018 DOI: 10.1016/j.molstruc.2018.01.042
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• Synthesis, molecular structure, Hirshfeld surface, spectral investigations and molecular docking study of 3-(5-bromo-2-thienyl)-1-(4-fluorophenyl)-3-acetyl-2-pyrazoline (2) by DFT method
  Journal of Molecular Structure 2018 DOI: 10.1016/j.molstruc.2018.03.004
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• Spectroscopic (FT-IR, FT-Raman, UV, 1H and 13C NMR) profiling and computational studies on methyl 5-methoxy-1H-indole-2-carboxylate: A potential precursor to biologically active molecules
  Journal of Molecular Structure 2017 DOI: 10.1016/j.molstruc.2016.12.004
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• Vibrational spectroscopic and molecular docking studies on N-carbobenzoxy-L-2-phenylglycine by density functional theory method
  Asian Journal of Chemistry 2017 DOI: 10.14233/ajchem.2017.20148
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• Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of methylphenylcyclopropenone based on density functional theories
  Springer Proceedings in Physics 2017 DOI: 10.1007/978-3-319-44890-9_55
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• Molecular structure activity on pharmaceutical applications of Phenacetin using spectroscopic investigation
  Journal of Molecular Structure 2017 DOI: 10.1016/j.molstruc.2016.08.028
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