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Toplam kayıt 5, listelenen: 1-5
Modelling of oxydibenzenesulfonyl hydrazide (OBSH) in gas-phase
(Scientific Publ-India, 2019)
Oxydibenzenesulfonyl hydrazide (OBSH), under some circumstances, can act as a foaming factor, and also as a crosslinking agent in the hardening reaction. Another use of OBSH is elastomer production under room pressure, ...
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. ...
Effect of molecular properties on the photocatalytic degredation rates of pyridazine
(International Congress of Chemistry and Environment, 2014)
In this study, with the intention of determining the primary intermediates, the photocatalytic degradation reaction of pyridazine which has been accepted as the pollutant was modelled. Geometry optimizations of the reactants, ...