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Royal Society of Chemistry, RSC Advances, 14(8), p. 7670-7678, 2018

DOI: 10.1039/c7ra10653j

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Understanding the mechanism and regioselectivity of the copper(i) catalyzed [3 + 2] cycloaddition reaction between azide and alkyne: a systematic DFT study

Journal article published in 2018 by Hicham Ben El Ayouchia, Lahoucine Bahsis, Hafid Anane ORCID, Luis R. Domingo ORCID, Salah-Eddine Stiriba ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Analysis of the global and local electrophilicity/nucleophilicity indices allows correct explanation of the behaviors of the copper(i) catalyzed 32CA reaction.