Porous hexagonal boron oxide monolayer with robust wide band gap: A computational study

A superhard allotrope of carbon: Ibam-C and its BN phase

Probing the geometries and electronic properties of charged Zr₂Si_n^q (n = 1–12, q = ±1) clusters

Ab initio investigation of the lower-energy candidate structures for (H₂O)₁₀+ water cluster

3D hybrid carbon composed of multigraphene bridged by carbon chains

Be₃N₂ monolayer: A graphene-like two-dimensional material and its derivative nanoribbons

High-pressure structures of helium and carbon dioxide from first-principles calculations

Novel structure of AgInS2 compound under high pressure: First principles calculations

Structural Search for High Pressure CS₂ and Xe–Cl Compounds

Ab initio investigation of structure, stability, thermal behavior and infrared spectra of (BN)₄ cluster