Carbon Nano cone and BN Nano cone as Nano Carriers for 5- Fluorouracil Anticancer Drug, A DFT Study

The calculations of the electronic and structural properties for interactions of 5-Fluorouracil withCarbon Nano cone and BN Nano cone as Nano Carriers have been conducted at B3PW91/6-31G(d,p) level of DFT theory. We are finding the BN nano cone is more sensitive for complexformation with 5-Fluorouracil drug. The result of calculations reveals that the 5-Fluorouracilmolecule has stronger actions with BN nano cone.

کلیدواژه ها:

Carbon Nano cone ، BN Nano cone ، 5-Fluorouracil ، DFT