For complete understanding of the physics and chemistry of clusters, surface, organic, inorganic and organometallic compound applications are employing different theoretical models, is, by its very nature, a demanding topic in many-body physics In this area, studies of coinage metal clusters are particulary significant because they offer a wide range of characteristic proprieties and because of their usage in industrial applications. In general all studies of chemistry compound are important for their applications in experimental area. This special issue is to improve the dissemination of advanced research in the area computational chemistry use the electronic proprieties. Original research papers are solicited in any aspect of computational chemistry.
Aims and Scope:
1. Explanation of structure 2. To determine electronic affinity, ionization potential, hardness, electronegativity, frequencies, hardness, entropy-S, enthalpy -H, free energy-G, dipole moment