The Nitrilimine–Alkene Cycloaddition Regioselectivity Rationalized by Density Functional Theory Reactivity Indices

Conventional frontier molecular orbital theory is not able to satisfactorily explain the regioselectivity outcome of the nitrilimine–alkene cycloaddition. We considered that conceptual density functional theory (DFT) could be an effective theoretical framework to rationalize the regioselectivity of...

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Hlavní autoři:	Giorgio Molteni, Alessandro Ponti
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2017-01-01
Edice:	Molecules
Témata:	1,3-dipolar cycloaddition nitrilimine alkene regioselectivity conceptual density functional theory reactivity indices softness
On-line přístup:	http://www.mdpi.com/1420-3049/22/2/202
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