Density functional theory method has been used to predict the structural and energetic properties of GenCm-n (n = l,m = 3-14; n = 2,m = 4-15) isomers. The optimized stable structures have been found to be linear(chain) for all GenCm-n(n = I, m = 3-9; n = 2, m = 4-10) clusters and planar(ring) for all GenCm-1 (n = 1,m = 10-14; n = 2, m = 11-15) isomers. It has been also found that the GenCm-n (n = 1, m = 3-14; n = 2, m = 4-15) clusters with odd m are more stable than those with even m
The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspo...
Density functional method has been used to study the structural features and energetics of CdmTen cl...
Using Generalized Gradient Approximation (GGA) and meta-GGA density functional methods, structures, ...
We analyze the molecular structure, relative stability, and aromaticity of the lowest-lying isomers ...
Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
The structures and stability of nitrogen cluster N10 were studied using DFT and MP2 methods. Eleven ...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
Different isomeric forms of BnCm clusters with n = 0, ..., 5, m = 0, ..., 5 with the isomerization e...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
Global minima for (MgO)<sub><i>n</i></sub> structures were optimized using a tree growth–hybrid gene...
We analyze the molecular structure, relative stability, and aromaticity of the lowest-lying isomers ...
Fourteen models of germanium clusters Gel, have been designed by using molecular graphics software, ...
<div><p>In this article, we look at the option of using a stochastic optimisation technique, namely ...
The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspo...
Density functional method has been used to study the structural features and energetics of CdmTen cl...
Using Generalized Gradient Approximation (GGA) and meta-GGA density functional methods, structures, ...
We analyze the molecular structure, relative stability, and aromaticity of the lowest-lying isomers ...
Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
The structures and stability of nitrogen cluster N10 were studied using DFT and MP2 methods. Eleven ...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
Different isomeric forms of BnCm clusters with n = 0, ..., 5, m = 0, ..., 5 with the isomerization e...
Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtaine...
Global minima for (MgO)<sub><i>n</i></sub> structures were optimized using a tree growth–hybrid gene...
We analyze the molecular structure, relative stability, and aromaticity of the lowest-lying isomers ...
Fourteen models of germanium clusters Gel, have been designed by using molecular graphics software, ...
<div><p>In this article, we look at the option of using a stochastic optimisation technique, namely ...
The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspo...
Density functional method has been used to study the structural features and energetics of CdmTen cl...
Using Generalized Gradient Approximation (GGA) and meta-GGA density functional methods, structures, ...