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Published in 2017 at "Structural Chemistry"
DOI: 10.1007/s11224-017-1066-0
Abstract: The reactivity indexes derived from conceptual density functional theory provide the tools for the analysis of the principal antioxidant compounds from Rosmarinus officinalis: carnosic acid, carnosol, genkwanin, rosmadial, and rosmarinic acid. Radicals produced from these…
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Keywords:
indexes antioxidant;
rosmarinus officinalis;
antioxidant molecules;
reactivity indexes ... See more keywords
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Published in 2019 at "Structural Chemistry"
DOI: 10.1007/s11224-019-01411-z
Abstract: Quantum chemistry calculations were performed to compare the reactivity indexes obtained within the conceptual density functional theory of phenolic and allyl-phenolic molecules and investigated in order to elucidate their antioxidant activity. Selected molecules share allyl…
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Keywords:
antioxidant molecules;
chemistry;
dft study;
allyl phenolic ... See more keywords