In this work, we carried out a study on the half-Heusler compound LiAlSi and LiAlGe in order to determine its structural and electronic properties and this using the FP-LAPW (Full Potential Augmented Linearized Plan ...

The objective of our work is to first synthesize a new family of triazole by the cyclocondensation reaction of arylazides substituted with a molecule possessing an active methylene. Then try to make complexation reactions ...

Dans ce travail, le complexe d'inclusion Emodine/hydroxypropyl-β-cyclodextrine (HPβ-CD) a été étudié théoriquement via la méthode DFT en phases gazeuse et aqueuse. Les énergies de complexation, et les paramètres thermodynamiques ...

ACE2 is a key protein in the physiology of COVID-19 and allows the Sars-CoV-2 to enter host cells where virus replication takes place. ACE2 inhibition can prevent virus attachment and thus limit viral infection. The ...

In our work, we studied the structural, elastic and electronic properties of cubic perovskites CaSnO3, SrSnO3 and BaSnO3. We used the Plane Wave Augmented and Linearized with Total Potential (FP-LAPW) method within the ...

In this work, we carried out a theoretical study by using the method of plane waves augmented and linearized (FP-LAPW) based on the (DFT) implemented in the code EXCITING for the determination of the structural and ...

Hydrothermal stability and chemical solubility of metakaolin appear like a promising alternative for geopolymers elaboration, which have excellent properties such as high mechanical strength, long term durability and ...

The objective of this study is to investigate the possibility of applying olive leaves as a adsorbant for the removal of heavy metal. The effects of operating parameters such as initial solute concentration, sorbent mass, ...

The aim of this work is to study the action of olive leaf extract (EFO) as a green inhibitor against corrosion of steel in pure and commercial NaCl medium (3%). The analysis of olive leaf powder by FTIR showed that extract ...