We summarize here the research advances on the reactivity of metal clusters. After a simple
introduction of apparatuses used for gas-phase cluster reactions, we focus on the reactivity …

Polyhalogenated carbazoles (PHCZs), known as new dioxin-like compounds, are a new
class of emerging environmental contaminants that have received increasing attention in …

Geometry, stability, and properties of Al n (n= 1–13) and Al n Si m (n+ m= 5–7) nanoclusters
were investigated by density functional theory. We found that while geometry of some …

Doping is known to be an excellent and simple way of catalyst design. Although notable
progress has been made in understanding the reactivity and catalytic activity of gas-phase …

Geometrical structures and physical properties, such as rotational constants and
characteristic vibrational temperatures, collision diameter, enthalpy of formation, dipole …

Using density functional theory to study the activity of the first O–H in water activated by Ga–
In and Ga–Sn clusters, and using displacement energy to explore the solubility of aluminum …

Using periodic density functional theory-based calculations, in the present study, we
address the chemical bonding between aluminium clusters (Aln, n= 4–8 and 13) and …

The present work demonstrates dissociative adsorption of molecular hydrogen on supported
and unsupported aluminum clusters (Al n, n= 4–8, 13) using density functional theory based …

The C (sp3)–C (sp2) bond activation reactions of 1-phenyl-2-propanone are facilitated by in
situ generated Al (NO2) 3 as an internal oxidant and the nitrogen source. The mechanistic …

A dynamical model is proposed to describe the generation of H 2 in the Al n+ H 2 O
reactions in order to deal with the complexity of the potential energy surface. For that …