Pressure-induced YSe₃ and Y₃Se with Charming Structures and Properties

Rapid 3D roll-up of gas-phase planar gold clusters and relative affinity and alienation for Mg and Ge: a DFT study of MgGeAun (n=1-12) clusters

Computational Exploration on the Structural and Optical Properties of Gold-Doped Alkaline-Earth Magnesium AuMg_n (n = 2–12) Nanoclusters: DFT Study

Structure and Chemical Bonding in Medium-Size Boron Clusters Doped with Praseodymium

Large B7 Triangles in Hollow Spherical Trihedral Metallo- borospherenes and Their Endohedral Complexes of ₂₀TM_n (TM = Sc, Y; n = 3, 4): a Theoretical Characterization

Ambient-Pressure Recoverable Polynitrogen Solids Assembled by Pentazolate Rings with High Energy Density

Structures and Electronic and Hydrogen Storage Properties of Magnesium Scandium Hydrides

Designing a Four-Ring Tubular Boron Motif through Metal Doping

Quantum Chemistry Study on the Structures and Electronic Properties of Bimetallic Ca₂-Doped Magnesium Ca₂Mg_n (n = 1–15) Clusters

A Novel Two-Dimensional ZnSiP₂ Monolayer as an Anode Material for K-Ion Batteries and NO₂ Gas Sensing