Seyed Hojatollah Rahimi

[ 1 ] - Comparison of thermodynamics and kinetics of reaction of the ozone with mercury, silver and gold

In this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. The chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. A comparative analysis of the description of the metal-oxygen bond obtained by different methodologies is pr...