Ara
Toplam kayıt 3, listelenen: 1-3
Possible reaction pathways of the lincomycin molecule according to the DFT calculation method
(Serbian Chemical Soc, 2017)
Human-used antibiotics are eliminated from the body with little or no transformation at all. Traces of eliminated antibiotics enter the receiving environment directly since they cannot be treated in prevalent wastewater ...
Analysis of the reaction kinetics of aminotoluene molecule through DFT method
(Bulgarian Acad Science, 2015)
In this study, the most probable reaction paths of aminotoluene (o-toluidine) molecule with OH radical were analyzed. The optimized geometry was calculated via Gauss View 5. Subsequently, the lowest energy status was found ...
Molecules of benidipine: experimental and theoretical investigation
(Bulgarian Acad Science, 2017)
In the search for a plausible mechanism for the photocatalytic degradation reaction of BEN, DFT reactivity descriptors were employed to have information about the most susceptible sites for hydroxyl radical attack. ...