Maria Libiyal J

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Publications (6)

• Structural, Spectroscopic, and Theoretical Investigation of a 4‐Benzyl Piperidine Derivative with Multi‐Targeted Bioactivity
  ChemistrySelect 2026 DOI: 10.1002/slct.202507028
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• Synthesis, spectral analysis, quantum chemical studies, biological activities, and molecular docking of derivatives of 2-mercaptobenzothiazole with bromomethylmesitylene and bromomethyl durene
  Journal of Molecular Structure 2025 DOI: 10.1016/j.molstruc.2025.143478
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• Synthesis, SCXRD, DFT, docking and biological profiling of a novel pyridin-2-one derivative with anticancer activity
  Journal of Molecular Structure 2025 DOI: 10.1016/j.molstruc.2025.142830
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• Spectral, structural, and theoretical elucidation of a novel adenine-based crystalline salt: Insights from NMR, XRD, DFT, NBO and NLO studies
  Optik 2025 DOI: 10.1016/j.ijleo.2025.172351
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• Comprehensive Study of a Mercaptopyridine Derivative: Single Crystal Structure, Spectral Characterization, DFT, In silico Studies, and Biological Activity
  ChemistrySelect 2025 DOI: 10.1002/slct.202404627
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• Growth, structural, Hirshfeld surface analysis, DFT validation on the crystal structure of 1, 10-Phenanthrolin-1-ium-5,6-dione perchlorate monohydrate
  Chemical Data Collections 2021 DOI: 10.1016/j.cdc.2021.100706
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