Articles with "elucidating trends" as a keyword



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Elucidating the Trends in Reactivity of Aza‐1,3‐Dipolar Cycloadditions

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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… read more here.

Keywords: dipolar cycloadditions; elucidating trends; trends reactivity; reactivity ... See more keywords