PC-silicene: A two-dimensional silicene allotrope with strong anisotropic conductance

Phase transitions of alkaline-earth metal sulfides under pressure

Computational probe for the geometrical structure and spectroscopic properties of Ga₂Mg_n⁺ (n = 1–11) clusters

Electronic structures and bonding properties of MSi₁₂^- anions (M = V, Nb, and Ta)

Structural and electronic properties of Pt_nSi₁₂ (n = 1–4) clusters: Quantum chemical calculations

Probing the structural, electronic and spectral properties of a NbB₂₀− cluster

Evolution of the structural and electronic properties, and dynamical fluxionality of B₂Ge_n^−/0 (n = 3–12) clusters: emergence of B2 unit endohedral pentagonal structure and aromaticity at n = 10

The cage-like structure enhanced magnetic moment in ScKn(n=2–12) clusters: A first-principles jointed particle swarmoptimization investigation

Magnetic superatoms in cage doped 13-atom trimetallic MgnLi_12-nSc (n=1-8) clusters and their assembled discrete supermolecules: a theoretical prediction

Decrypting the Structural, Electronic and Spectroscopic Properties of GeMgn⁺(n = 2–12) Clusters: A DFT Study