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Theoretical Investigation of Certain Tea Compounds in Aqueous and Blood Phases
(Anadolu Üniversitesi, 2012)
In this study, certain theoretical properties of tea compounds, such as acidity constant, stability, reactivity, geometry and energy have been calculated prior to laboratory studies to understand the basic principles ...
A Theoretical Study on Proton-Gain Behaviors of Some Azaindole Derivatives
(Anadolu Üniversitesi, 2011)
The acidities, relative stabilities (RS), nucleophilicities (Ƞ ) and proton affinities (PA) of seven azaindole molecules were determined in both gas and liquid phases using semi-empirical AM1, PM3 and PM5 methods. The ...