A conceptual DFT analysis of the plausible mechanism of some pericyclic reactions
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DOI: 10.1007/s11224-020-01527-7
Abstract: Out of several pericyclic reactions, Diels-Alder (DA) reaction is one of the most widely used synthetic processes. In the present work, several models and methodologies have been used to determine and to analyze the plausible… read more here.
Keywords: mechanism; density transfer; density; reaction ... See more keywords