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- W2048802054 abstract "We analyze the antioxidant property of four phenolic compounds i.e., gallic acid, methyl gallate, ethyl gallate, and 4, 5-dihydroxy 3-methoxy benzoic acid through the determination of bond dissociation enthalpy (BDE), vertical ionization potential ( IP v ) in gas phase as well as in six different solvent medium. The theoretical trends of these phenolic compounds, based on BDE and IP, is compared with the scavenging activity towards HOCl . In addition, we compute and analyze the values of the density-based reactivity descriptors such as chemical potential, hardness, electrophilicity, and local softness." @default.
- W2048802054 created "2016-06-24" @default.
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- W2048802054 date "2012-04-01" @default.
- W2048802054 modified "2023-10-18" @default.
- W2048802054 title "A THEORETICAL STUDY ON THE ANTIOXIDANT PROPERTY OF GALLIC ACID AND ITS DERIVATIVES" @default.
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- W2048802054 doi "https://doi.org/10.1142/s0219633612500277" @default.
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