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1 article for “Cogumputational studies”
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A Preliminary Computational Study of the Mechanism of Oxidation of D-Fructose by Iodine in Gas Phase
Abstract: This paper presents a preliminary computational study of the mechanism of oxidation of D-fructose by iodine in the gas phase. The study shows that the oxidation reactions proceeded in three consecutive elementary steps, in which three transition states were produced. The reactions also produced two intermediates. Heats of formation and other thermodynamic parameters of all species involved were also calculated and presented. The results obtained were based on the analyses …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 6, Issue 2, 2015 · pp. 41–49 Read article