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Published in 2021 at "Molecules"
DOI: 10.3390/molecules26020513
Abstract: The interacting quantum atoms approach (IQA) as applied to the electron-pair exhaustive partition of real space induced by the electron localization function (ELF) is used to examine candidate energetic descriptors to rationalize substituent effects in…
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Keywords:
aromatic substitutions;
energetics electron;
electrophilic aromatic;
pairs electrophilic ... See more keywords