MnB_x Monolayers with Quasi-Planar Hypercoordinate Mn Atoms and Unique Magnetic and Mechanical Properties

A systematic investigation of the geometries, electronic and magnetic properties of Al_nAs^q (q = −1, 0, +1; n = 1–16) clusters: a DFT calculationA systematic investigation of the geometries, electronic and magnetic properties of AlnAsq (q = −1, 0, +1; n = 1–16) clusters: a DFT calculation

A superhard sp³ microporous carbon with direct bandga

Prediction of another semimetallic silicene allotrope with Dirac fermions

Structural stabilities and electronic properties of Mg_28-nAl_n clusters: A firstprinciples study

First-principle study of pressure-induced phase transitions and electronic properties of electride Y₂C

Pressure-induced structural phase transformation and superconducting properties of titanium mononitride

Ab initio investigation of structure, spectrum, aromaticity and electronic properties of C₁₀ carbon cluster

Ab initio study of cationic water cluster (H₂O)₉+ via particle swarm optimization algorithm

Ab initio investigation of possible candidate structures and properties of water cluster (H₂O)₇+ via particle swarm optimization method