[HTML][HTML] Structures and stability of K+ cation solvated in Arn clusters
M Slama, M Laajimi, H Ghalla… - Journal of Molecular …, 2024 - Elsevier
The solvation of K+ cation plays an important role in various phenomena such as biological
procedures, geological time, and archaeological properties. Monte Carlo (MC) simulation …
procedures, geological time, and archaeological properties. Monte Carlo (MC) simulation …
Structure and stability of Na+Xen clusters
M Slama, K Issa, FE Ben Mohamed… - The European Physical …, 2016 - Springer
The structure and stability features of Na+ Xe n (n≤ 54) clusters are theoretically
investigated via model potential energy surfaces (PES) and unconstrained global …
investigated via model potential energy surfaces (PES) and unconstrained global …
[HTML][HTML] Microsolvation of lithium cation in xenon clusters: An octahedral growth pattern
M Slama, H Habli, M Laajimi, H Ghalla… - Journal of Molecular …, 2022 - Elsevier
The structural and energetic proprieties for the Li+ Xe n (n= 1–18) clusters are investigated
using both Basin-Hopping combined with Potential Model description (BH-PM) and DFT …
using both Basin-Hopping combined with Potential Model description (BH-PM) and DFT …
Physical adsorption of the Ba atom on Arn surfaces: spectroscopic and geometric properties
Barium atoms cause several environmental and ecological dangers. Numerous techniques
are employed to remove the Ba atom such as physisorption and solvation methods. In this …
are employed to remove the Ba atom such as physisorption and solvation methods. In this …
Spectroscopic and electric dipole properties of Sr+ Ar and SrAr systems including high excited states
R Hamdi, K Abdessalem, R Dardouri… - Journal of Physics B …, 2017 - iopscience.iop.org
The spectroscopic properties of the fundamental and several excited states of Sr+ Ar and
SrAr, Van der Waals systems are investigated by employing an ab initio method in a pseudo …
SrAr, Van der Waals systems are investigated by employing an ab initio method in a pseudo …
[HTML][HTML] Microsolvation of Ca2+ cation in small Xen clusters: Structures and relative stabilities
S Mtiri, M Laajimi, H Ghalla, B Oujia - Physica B: Condensed Matter, 2020 - Elsevier
The structures and relative stabilities of the Ca 2+ Xe n (n= 1–18) clusters have been carried
out using two methods: the pairwise/Monte Carlo Basin-Hopping and density functional …
out using two methods: the pairwise/Monte Carlo Basin-Hopping and density functional …
Theoretical investigation of the van der Waals interaction in Ba0,+, 2+ He systems and the stability of Ba2+ Hen clusters
H Habli, S Jellali, M Safa, B Oujia - Physica Scripta, 2020 - iopscience.iop.org
An ab-initio calculation was performed to highlight the van der Waals interaction between Ba
0,+, 2+ and helium atoms. The low-lying electronic states for Ba+ He and BaHe systems …
0,+, 2+ and helium atoms. The low-lying electronic states for Ba+ He and BaHe systems …
[HTML][HTML] Spectroscopic, vibrational and structural properties analysis of CaXen (n= 1–4) clusters
S Mtiri, B Oujia - Computational and Theoretical Chemistry, 2019 - Elsevier
A systematic ab initio calculations based on a complete Configuration Interaction (CI)
including the pseudo-potential model where the core valence correlation was presented by …
including the pseudo-potential model where the core valence correlation was presented by …