Browsing by Author "Karahan, Özlem"
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A computational study on the amine-oxidation mechanism of monoamine oxidase: Insight into the polar nucleophilic mechanism
Sağ Erdem, Safiye; Karahan, Özlem; Yıldız, İbrahim; Yelekçi, Kemal (Royal Soc Chemistry, 2006)The proposed polar nucleophilic mechanism of MAO was investigated using quantum chemical calculations employing the semi-empirical PM3 method. In order to mimic the reaction at the enzyme's active site the reactions between ... -
Thermal rearrangement of 2-acetoxy-266-trimethylbicyclo[3.1.0]hexane: Theoretical elucidation of the mechanism
Erdem, Safiye Sağ; Uyar, Fahriye; Karahan, Özlem; Yelekçi, Kemal (Elsevier Science, 2007)Bicyclohexenes are believed to be the immediate precursors of aromatic compounds. As a part of the exploratory study of thermal aromatization reactions 266-trimethylbicyclo[3.1.0]hexan-2-ol and its ester derivative ...