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Published in 2019 at "European Journal of Organic Chemistry"
DOI: 10.1002/ejoc.201800572
Abstract: This report describes a density functional theory investigation into the reactivities of a series of aza-1,3-dipoles with ethylene at the BP86/TZ2P level. A benchmark study was carried out using QMflows, a newly developed program for…
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Keywords:
dipolar cycloadditions;
elucidating trends;
trends reactivity;
reactivity ... See more keywords