[HTML][HTML] A density functional theory study of adsorption ethionamide on the surface of the pristine, Si and Ga and Al-doped graphene

E Vessally, M Musavi, MR Poor Heravi - Iranian Journal of Chemistry and …, 2021 - ijcce.ac.ir
In this research, the adsorption behavior of pristine, Si-and Ga-and Al-doped graphene is
investigated toward ethionamide (EA) using Density Functional Theory (DFT) calculations …

Sensing of acetaminophen drug using Zn-doped boron nitride nanocones: a DFT inspection

N Khaki, S Fosshat, P Pourhakkak, RD Thanoon… - Applied Biochemistry …, 2022 - Springer
During environmental testing, scientists face the problem of developing and designing a
new type of sensor electrode with distinguished stability, high activity, and cost-effectiveness …

[HTML][HTML] Energy and exergy analysis of internal combustion engine performance of spark ignition for gasoline, methane, and hydrogen fuels

N Norouzi, AG Ebadi, A Bozorgian, SJ Hoseyni… - Iranian Journal of …, 2021 - ijcce.ac.ir
Exergy analysis is a tool to determine the share of processes involved in transferring input
functionality to the system and where the useful energy loss occurs in a system or process …

Study the nature of the interaction between 5-fluorouracil anti-cancer drug and zinc oxide nanocage

H Li, MRP Heravi, AG Ebadi, S Ahmadi… - Brazilian Journal of …, 2022 - Springer
We proposed a quantum chemical calculation to investigate the nature of the adsorption of 5-
Fluorouracil (5FU) on the zinc oxide (ZnO) nanocage. For this purpose, different geometries …