Pressure-induced metallization and superconducting phase in ReS₂

First-Principles Investigation of Trimetallic Clusters: GaMnLi_n (n = 1–12)

Inner-shell chemistry under high pressure

Predicted novel insulating electride compound between alkali metals lithium and sodium under high pressure

The electronic, optical, and thermodynamical properties of tetragonal, monoclinic, and orthorhombic M₃N₄(M=Si, Ge, Sn):A first-principles study

A New Ternary Alloy of Cr₂CuAl and its Structures

Comment on “the ground-state structures of Au₁₀, Au₈Ni and Au₉Ni clusters”

Ab initio calculations on structural and electronic transport properties of six-atom GaN clusters

Equilibrium geometries, electronic structure and magnetic properties of Co_nS_n (n = 1–12) clusters from density functional calculations

Semi-metallic Be₅C₂ monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson’s ratio