Volume 6 (2023)
Volume 5 (2022)
Volume 4 (2021)
Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)
Keywords = Density functional theory
Number of Articles: 3
Analysis of structural, and electronic properties of clopidogrel drug adsorption on armchair (5, 5) Single-walled carbon nanotube
Volume 4, Issue 1 , January 2021, , Pages 15-30
Abstract
Single-walled carbon nanotubes (SWCNTs) have been widely utilized in many types of applications, cinfirming their excellent role as carriers of drugs with a highly site-selective delivery ... Read More
Adsorption of TNT on the surface of pristine and N-doped carbon nanocone: A theoretical study
Volume 3, Issue 2 , April 2020, , Pages 103-114
Abstract
In this research, the performance of the carbon nanocone as an adsorbent and a sensing material for the removal and detection of trinitrotoluene (TNT) was investigated using the density ... Read More
Host-guest interaction in chitosan– MX (3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone) complexes in water solution: Density Functional Study
Volume 2, Issue 1 , January 2019, , Pages 49-65