Structural assignment of small cationic silver clusters by far-infrared spectroscopy and DFT calculations

Prediction of hypervalent molecules: investigation on M₂C (M = Li, Na, K, Rb and Cs; n = 1–8) clusters

Structural Metatransition of Energetically Tangled Crystalline Phases

Substrate and band bending effects on monolayer FeSe on SrTiO₃(001)

Novel structural phases and electrical properties of Si3B under high pressure

Electrolyte-controlled discharge product distribution of Na–O₂ batteries: a combined computational and experimental study

Alkaline-Earth Metal (Mg) Polynitrides at High Pressure as Possible High-Energy Materials

Structural, electronic and mechanical properties of sp³-hybridized BN phases

Prediction of superconducting ternary hydride MgGeH₆: from divergent high-pressure formation routes

Two-dimensional topological crystalline quantum spin Hall effect in transition metal intercalated compounds