The origin of the barrier of rotation of alpha carbonyl methyl groups

The knowledge about the effects that rule internal rotation of methyl groups is the key in understanding physical chemistry properties and reactivity of molecules. Using this as motivation, different substituted acetyl groups were studied with NBO theory and the effects that govern conformational pr...

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Bibliographic Details

Main Authors:	Piscelli, Bruno, Cormanich, Rodrigo
Format:	Online
Language:	Portuguese
Published:	Universidade Estadual de Campinas 2019
Subjects:	NBO Computational chemistry Physical organic chemistry
Online Access:	https://econtents.sbu.unicamp.br/eventos/index.php/pibic/article/view/1859
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