Browsing Eczacılık Fakültesi by Subject "PCM"
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A quantum chemical DFT/HF study on acidity constants of some benzothiazole and thiazole derivatives
(Council of Scientific and Industrial Research, 2014)The acid dissociation (K-a) constants of some 4-and/or 6-substituted-2-aminobenzothiazole compounds have been investigated theoretically. The gas and aqueous phase geometries, thermal and solvation free energies have been ...