The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …

The mechanisms of physical and chemical interactions of low temperature plasmas with
surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD …

Clusters provide a bridge between isolated atoms and bulk material, and, because of that,
they can display unusual physical and chemical behaviors. The knowledge of the structure …

A relationship between the size of metal particles and their catalytic activity has been
established over a nanometer scale (2–10 nm). However, application on a subnanometer …

An atom-level ab initio understanding of the structural, energetic, and electronic properties of
nanoclusters with diameter size from 1 to 2 nm figures as a prerequisite to foster their …

We show that the vibrational entropy can play a crucial role in determining the equilibrium
structure of clusters by constructing structural phase diagrams showing how the structure …

The use of metallic nanoparticles in catalysis under homogeneous conditions leads to a
discussion of their catalytic nature: whether the catalyst behaves as a molecular species or …

Classical metal-based nanomaterials come in two prominent types: a mononuclear or
multinuclear complex chemically stabilized by organic ligands or a nanoparticle (also called …

We examine in detail the causes of the structural transitions that occur for those small
Lennard-Jones clusters that have a nonicosahedral global minima. Based on the principles …

Impregnation of hyper-cross-linked polystyrene (HPS) with tetrahydrofuran (THF) or
methanol (ML) solutions containing platinic acid results in the formation of Pt (II) complexes …