Structural and electronic properties of V2Bn (n = 1–10) clusters

The structural, electronic and magnetic properties of Ga_8-xMn_xAs₈ clusters

Pressure-induced structural phase transition, elastic and thermodynamic properties of ReC under high pressure

Prediction of the Xe-He binary phase diagram at high pressures

Phase transition and thermodynamic properties of YAg alloy from first-principles calculationsPhase transition and thermodynamic properties of YAg alloy from first-principles calculations

New crystal structure and physical properties of TcB from first-principles calculations

Predicted two-dimensional electrides: Lithium–carbon monolayer sheet

Novel R-3m phase of beryllium under high pressure

Structures, stabilities and electronic properties of CunNa (n = 1–8) clusters

Tuning the catalytic activity of Ag-Pd alloy cluster for hydrogen dissociation by controlling the Pd ratio