Volume 8 (2020)
Volume 7 (2019)
Volume 6 (2018)
Volume 5 (2017)
Volume 4 (2016)
Volume 3 (2015)
Volume 2 (2014)
Keywords = density functional theory
Number of Articles: 2
A study on the comparison between thermodynamics and kinetics of reaction of the ozone and mercury, silver and gold
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, , Pages 78-93
Abstract
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 ... Read More)
Theoretical evaluation of medicinal properties for some of N-aryl-3-hydroxypyridine-4-ones derivative compounds
Volume 2, Issue 2, pp. 82-163, Serial No. 3 , April 2014, , Pages 82-92
Abstract
Today, the bidentate ligands 3-hydroxypyridin-4-ones (HPOs) as orally active iron chelating agents have been demonstrated to possess potential for treatment of some human diseases such as iron-overload in thalassaemic patients and malaria. In this research, a series of HPOs with different substitutes ... Read More)