Because of their interesting structures and bonding and potentials as motifs for new
nanomaterials, size-selected boron clusters have received tremendous interest in recent …

In the last decades, experimental techniques in conjunction with theoretical analyses have
revealed the surprising structural diversity of boron clusters. Although the 2D to 3D transition …

The idea of planar tetracoordinate carbon (ptC) was considered implausible for a hundred
years after 1874. Examples of ptC were then predicted computationally and realized …

Clusters of boron atoms exhibit intriguing size-dependent structures and chemical bonding
that are different from bulk boron and may lead to new boron-based nanostructures. We …

A new generation of ab initio electron-propagator self-energy approximations that are free of
adjustable parameters is tested on a benchmark set of 55 vertical electron detachment …

In this study, we analyzed CB4 and its cation, CB4+. Using CCSD (T)/aug-cc-pVQZ//CCSD
(T)/aug-cc-pVTZ quantum-chemical calculations, we found that the neutral molecule is in …

Photoelectron spectroscopy combined with quantum chemistry has been a powerful
approach to elucidate the structures and bonding of size-selected boron clusters (B n−) …

Because of its low toxicity, bismuth is considered to be a “green metal” and has received
increasing attention in chemistry and materials science. To understand the chemical …

It is well known that double-ring boron clusters have got the special double aromaticity with
delocalized π orbitals in two directions (tangential and radial), which are potential ligands …

Planar boron clusters form dynamic rotors, either as molecular Wankel motors or
subnanoscale tank treads, the latter being exemplified by an elongated B11− cluster. For an …