Structural and electronic properties of Ta₂O₅ with one formula unit application

Probing the structural evolution, electronic and vibrational properties of anionic sodium-doped magnesium clusters

Polymeric nitrogen in alkaline earth metal N-rich nitrides (MN₂, M = Be, Mg, Ca, Sr, and Ba): A first-principles study

Prediction of novel final phases in aged uranium-niobium alloys

High-Temperature Superconductivity in Doped Boron Clathrates

Probing the Structural Evolution, Stabilities and Properties of LiB_n(n = 2–12) Clusters

First-Principles Estimation of Low-Pressure Superconductivity in KC₂H₈ Ternary Hydride

Polynitrogen clusters interaction with water: experimental and theoretical perspectives

Probing the structural evolution and stabilities of CsB^n0/- (n=2-12) clusters

Structural and electronic phase transitions of thorium monoxide from first-principles calculations