Molecular structure, homo-lumo analysis and vibrational spectroscopy of the cancer healing pro-drug temozolomide based on dft calculations
The molecular structure and spectroscopic analysis of the Temozolomide molecule have been performed using the density functional theory in metabo 15-gauge finish nailer cordless neutral and anion states as well as with the addition of DMSO solvent.The 6-311G(d) basis set was employed to optimize the molecular structure of the TMZ molecule using the