DALJEET SINGH

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Publications (4)

• Synthesis, crystal structure, DFT, and non-covalent interaction analysis of a pyrazoline-based hybrid heterocycle (5-(anthracen-10-yl)-1-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole) as a potential iNOS inhibitor
  Journal of Molecular Structure 2026 DOI: 10.1016/j.molstruc.2026.147071
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• Synthesis, structural insights, quantum calculations, and docking studies of a novel compound: 5-(anthracen-10-yl)-1-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
  Journal of Molecular Structure 2026 DOI: 10.1016/j.molstruc.2025.144392
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• Synthesis, SC-XRD, quantum chemical, Hirshfeld surfaces and molecular docking analysis of N-substituted pyrazoline derivative: 4-(5-(anthracene-10-yl)-3-(thiophen-2-yl)-4,5-dihydropyrazol-1-yl)benzonitrile
  Journal of Molecular Structure 2025 DOI: 10.1016/j.molstruc.2025.142676
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• Synthesis, X-ray Structure, DFT, Hirshfeld Surface, QTAIM/RDG and Molecular Docking Analysis of 3-methyl-4-nitro-1,1-biphenyl (3-MNB)
  Journal of Chemical Crystallography 2025 DOI: 10.1007/s10870-025-01043-8
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