Chemical Bonding and σ-Aromaticity in Charged Molecular Alloys: [Pd2As14]4- and [Au2Sb14]4- Clusters

Oxidation of the hexagonal Mo2C(101) surface by H2O dissociative adsorption

Mechanism of coverage dependent CO adsorptionand dissociation on the Mo(100) surface

Dynamic Mg2B8 Cluster: A Nanoscale Compass

B33- and B34-: Aromatic Planar Boron Clusters with a Hexagonal Vacancy

Wheel-like, elongated, circular, and linear geometries in boron-based CnB7-n(n=0–7) clusters: structural transitions and aromaticity

An effective approach to prepare three-dimensional porous manganese dioxide electrodes by surfactant assisted electrosynthesis for improved supercapacitive properties

Coaxial Triple-Layered versus Helical Be6B11- Clusters: Dual Structural Fluxionality and Multifold Aromaticity

Why nanoscale tank treads move? Structures,chemical bonding, and molecular dynamics of adoped boron cluster B10C

Ligand-Stabilized All-Main-Group-Metal Sandwich Complex: Structure, Bonding, and Aromaticity

Radical Enamination of Vinyl Azides: Direct Synthesis of N-Unprotected Enamines

Computational exploration of ligand effects in copper-catalyzed boracarboxylation of styrene with CO2

Computational studies on the Rh-catalyzed carboxylation of a C(sp2)-H bond using CO2

Heteroborospherene Nin∈B40(n=1-4) and heteroborophene monolayers Ni2∈B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagons

B12Fn 0/ (n = 1–6) series: when do boron double chain nanoribbons become global minima?

Pentagonal five-center four-electron π bond in ternary B3N2H5 cluster: an extension of the concept of three-center four-electron ω bond

Structural transition in metal-centered boron clusters:from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22-

Which Density Functional Should Be Used to Describe Protonated Water Clusters

Planar B38- and B37- clusters with a double-hexagonal vacancy: molecular motifs for borophenes

Cage-like B39+ clusters with the bonding pattern of σ+π double delocalization new members of the borospherene family