Study of the Structural and Electronic Properties of Neutral and Charged Niobium-Doped Silicon Clusters: Niobium Encapsulated in Silicon Cages

Structures of Nanoalloy Clusters Au_nAl_n (n = 1–10) and the Growth Patterns to the Bulk Phase

Structural and Electronic Properties of Ruthenium Doped Germanium Clusters

Pressure-Stabilized Ir in a Superconducting Potassium Iridide

Epoxy-Carbonyl Conformation of Graphene Oxides

Stability of Sulfur Nitrides: A First-Principles Study

Determination of the microstructure, energy levels and magnetic dipole transition mechanism for Tm³⁺ doped yttrium aluminum borate

Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

Structural variety beyond appearance: high-pressure phases of CrB₄ in comparison with FeB₄

The Catenation of Carbon in LaC₂ Predicted under High Pressure