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 …

Photoelectron spectroscopy (PES) in combination with computational chemistry has been
used systematically over the past decade to elucidate the structures and chemical bonding …

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 …

We have investigated the structural and electronic properties of the B 17− and B 18− clusters
using photoelectron spectroscopy (PES) and ab initio calculations. The adiabatic electron …

Atomic clusters have intermediate properties between that of individual atoms and bulk
solids, which provide fertile ground for the discovery of new molecules and novel chemical …

Over the past decade, there has been a significant growth in the development and
application of methods for performing global optimization (GO) of cluster and nanoparticle …

Aromaticity is indispensable for explaining a variety of chemical behaviors, including
reactivity, structural features, relative energetic stabilities, and spectroscopic properties …

Carbon centres in typical organic molecules have a coordination number that can reach a
maximum of four, in which case the bonded atoms are situated at the vertices of a …

Bulk boron, which is characterized by 3D cage-like structural features, is a refractory
material.[1, 2] However, 3D cage structures were suggested to be unstable for small boron …