Computational Studies of the Corrosion Inhibition Potentials of Quercetin and Coumarin by VM Udowo in Archives of Organic and Inorganic Chemical Sciences in Lupine Publishers
The molecules of Coumarin and Quercetin were subjected to computational calculations using the Density Functional Theory (DFT) in order investigate their inhibition potentials. The Coumarin molecule demonstrated a greater corrosion inhibition potentials compared to the Quercetin molecule. The corrosion potentials were predicted using quantum chemical parameters like Energy of the highest occupied molecular orbital (EHOMO) and Energy of the lowest unoccupied molecular orbital (ELUMO), ionization potential (I), Fukui (f+ and f-) indices and Global hardness.
https://www.lupinepublishers.com/chemistry-journal/fulltext/computational-studies-of-the-corrosion-inhibition-potentials-of-quercetin-and-coumarin.ID.000133.php
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The molecules of Coumarin and Quercetin were subjected to computational calculations using the Density Functional Theory (DFT) in order investigate their inhibition potentials. The Coumarin molecule demonstrated a greater corrosion inhibition potentials compared to the Quercetin molecule. The corrosion potentials were predicted using quantum chemical parameters like Energy of the highest occupied molecular orbital (EHOMO) and Energy of the lowest unoccupied molecular orbital (ELUMO), ionization potential (I), Fukui (f+ and f-) indices and Global hardness.
https://www.lupinepublishers.com/chemistry-journal/fulltext/computational-studies-of-the-corrosion-inhibition-potentials-of-quercetin-and-coumarin.ID.000133.php
For more Lupine Publishers Open Access Journals Please visit our website: http://www.lupinepublishers.com/
For more Journal of Chemical Sciences articles Please Click Here: https://www.lupinepublishers.com/chemistry-journal/
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