Phase stability, mechanical properties and thermal conductivity of technetium diborides in different crystal structures

Geometric and electronic diversity of metal doped boron clusters

Cerium-promoted conversion of dinitrogen into high-energy-density material CeN₆ under moderate pressure

Pressure-induced evolution of stoichiometries and electronic structures of host-guest Na-B compounds

Novel nitrogen-rich lanthanum nitrides induced by the ligand effect under pressure

Structural evolution and stability of plutonium oxide clusters

Geometry and electronic properties of alkali metal (rubidium) doped boron clusters

Insights into the growth law, electronic properties and spectra of Feλ_n (n=3-18;λ=0, ±1) clusters

Structures and properties of uranium–niobium intermetallic compounds under high pressure: A first principles study

Structures and properties of uranium–niobium intermetallic compounds under high pressure: A first principles study