Prediction of stable high-pressure structures of tantalum nitride TaN₂

Superconducting TaH₅ at high pressure

BPt₄S₄ cluster:arges all at their global energy minimaa planar tetracoordinate boron system with three charges all at their global energy minima

Probing the structure and electronic properties of anionic and neutral BiAun-1,0 (n=2-20) clusters: A pyramid-like BiAu13 cluster

A comparative study of CunX (X=Sc, Y; n=1-10) clusters based on structures, electronic and aromatic properties

Iron-magnesium compounds under high pressure

h-C₆₃: A new hexagonal superhard metallic carbon allotrope

Structure evolution of chromium-doped boron clusters: toward the formation of endohedral boron cages

Computational investigations into the structural and electronic properties of Cd_nTe_n (n = 1–17) quantum dots

Novel graphene-like two-dimensional bilayer germanene dioxide: electronic structure and optical properties