Browsing Araştırma Çıktıları by Publisher "CHINESE JOURNAL STRUCTURAL CHEMISTRY"
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Computational Investigation of the Substituent Effect on the Intramolecular Proton Transfer Reaction of 3-Hydroxytropolone
(CHINESE JOURNAL STRUCTURAL CHEMISTRY, 2014)The effects of substituent type and position on the proton transfer reaction of 3-hydroxytropolone (3-OHTRN) have been investigated theoretically by using density functional theory at the level of B3LYP/ 6-31+G** method. ...