Browsing by Subject "Computational chemistry"
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Kaempferol as selective human MAO‑A inhibitor: analytical detection in Calabrian red wines, biological and molecular modeling studies
(ACS, 2016)The purpose of this work was to determine the kaempferol content in three red wines of Calabria, a southern Italian region with a great number of certified food products. Considering that wine cultivar, climate, and soil ... -
The molecular structure of selected South African coal-chars to elucidate fundamental principles of coal gasification
(2015)Advances in the knowledge of chemical structure of coal and development of high performance computational techniques led to more than hundred and thirty four proposed molecular level representations (models) of coal ...