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This investigation involved oxalate salt of B vitamin experimental and theoretical spectra analysis. Docking studies and molecular dynamic simulation analysis were also carried out against the target protein involved in prostate cancer. At room temperature, the infra-red and Raman spectra results were chronicled in at range 4000-400 cm-1. In the crystalline environment along with the shifting of some spectral bands, the effect of hydrogen bonding force is detected. HF and DFT/B3LYP were employed to estimate the optimized geometry with th
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