Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate.

@article{Suresh2014StudiesOM,
  title={Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate.},
  author={Dr. M. D. Brundha Suresh and M Amalanathan and Issac Hubert Joe and V Bena Jothy and Yun-peng Diao},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  year={2014},
  volume={130},
  pages={591-603}
}
The molecular structure, vibrational analysis and molecular docking analysis of the 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate (MDDNAB) molecule have been carried out using FT-IR and FT-Raman spectroscopic techniques and DFT method. The equilibrium geometry, harmonic vibrational wave numbers, various bonding features have been computed… CONTINUE READING