Metallization and softening of B6O at high pressure

Predicted a Novel High-Pressure Superhard Boron Nitride Phase

Density functional theory study of neutral and singly-charged (NaBH₄)n (n = 1–6) nanoclusters

Superhard sp3 carbon allotrope: Ab initio calculations

High pressure phases of different tetraboranes

A theoretical study on the structural and physical properties of the ground-state CaC

Phase stability and physical properties of technetium borides: A first-principles study

High-pressure-activated carbon tetrachloride decomposition

Elastic and thermodynamic properties of vanadium nitride under pressure and effect of metallic bonding on its hardness

First-principle calculations on the structural and electronic properties of hard C₁₁N₄