Articles with "calculations mercaptostilbene" as a keyword



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Antioxidant activity and pKa calculations of 4‑mercaptostilbene and some derivatives: A theoretical approach

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Published in 2019 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2018.11.092

Abstract: Abstract The radicals scavenging activity of some mercaptostilbenes and their hydroxyl analogs were investigated with the density functional theory method. The HAT, SET–PT and SPLET mechanisms were studied in vacuum and some solvents and the… read more here.

Keywords: pka calculations; antioxidant activity; activity pka; activity ... See more keywords