Insights into the Structures and Bonding of Medium-Sized Cerium- Doped Boron Clusters

Planar Tetracoordinate Carbons in Allene-Type Structures

Anion Photoelectron Spectroscopy and Theoretical Studies of Al₄C₆^−/0: Global Minimum Triangle-Shaped Structures and Hexacoordinated Aluminum

New potential stable structures of XMgn (X = Ge, C, Sn; n = 2–12) clusters: XMg8 with high stability

Semiconducting MnB₅ monolayer as a potential photovoltaic material

Higher Stability Predicted from First-Principles Calculations

Structural, electronic and magnetic properties of TlFeSe₂ under high pressure

A Novel High-Pressure Phase of ScN₅ with Higher Stability Predicted from First-Principles Calculations

Two-dimensional aluminium, gallium, and indium metallic crystals by first-principles design

Novel structural phase and superconductivity of W-Te compounds under high pressures