Acetaminophen drug detection by a promising sensor of aluminum nitride nanocage: DFT approach

JZ Zhang, QX Kong, Z Zhou, P Liu - Monatshefte für Chemie-Chemical …, 2021 - Springer
The main challenge war focused on the detection of acetaminophen drug using a type of
AlN nanocage sensor through density functional theory calculations. The interaction …

Investigation the response of BC3NT towards 5-fluorouracil drug in the both perfect and defected sate; A DFT calculations

Y Yang, Z Guangrong, W Xiaojing, L Wu - Structural Chemistry, 2021 - Springer
Density functional theory (DFT) calculations were employed to study the 5-fluorouracil (5FU)
drug interaction strength with perfect and defective forms of boron carbide nanotube …