Phase equilibria in the U-Si system from first-principles calculations

Theoretical Study of Geometries, Stabilities, and Electronic Properties of Cationic (FeS)_n+(n=1-5)Clusters

Novel structures and superconductivities of calcium-lithium alloys at high pressures: A first-principles study

Pressure and temperature induced phase transition in WB₄: A first principles study

Exploring high-pressure FeB₂: Structural and electronic properties predictions

Pressure-induced electron phase transitions of α-As₂Te₃

Structural, electronic and elastic properties of the shape memory alloy NbRu: First-principle investigations

An experimental and theoretical study of glycerol oxidation to 1,3-dihydroxyacetone over bimetallic Pt-Bi catalysts

A New Superhard Phase and Physical Properties of ZrB₃ from First-Principles Calculations

Cubic C3N: A New Superhard Phase of Carbon-Rich Nitride