TD-DFT, NBO, AIM, RDG and Thermodynamic Studies of Interactions of 5-Fluorouracil Drug with Pristine and P-doped Al12N12 Nanocage
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DOI: 10.22036/pcr.2020.213588.1714
Abstract: In the present study, the capability of the pristine and P-doped Al12N12 nanocage to deliver and detect of 5-Fluorouracil (5-FU) anticancer drug are investigated using the density functional theory (DFT) at the cam-B3LYP/6-31G(d, P) level… read more here.
Keywords: drug; doped al12n12; al12n12 nanocage; aim ... See more keywords