Theoretical study of acid acetylation of methylamine

dc.creator	Caglieri, Silvana
dc.date.accessioned	2024-06-13T19:42:19Z
dc.date.available	2024-06-13T19:42:19Z
dc.date.issued	2014
dc.description.abstract	Abstract: A theoretical study of acid acetylation of methylamine from the analysis of intermediate of the reaction was carried out. Geometries of all species involved in the reaction were made and identified. All of the geometry optimizations were performed by the method at the DFT with B3LYP level of theory and was adopted the 3-21+G* basis set. Energies were calculated using the AM1. The energy of activation for the reaction was 8.85 kcal/mol.	es_ES
dc.description.affiliation	Fil: Caglieri, Silvana. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Química Ambiental; Argentina.	es_ES
dc.description.peerreviewed	Peer Reviewed	es_ES
dc.format	pdf	es_ES
dc.identifier.doi	-
dc.identifier.uri	http://hdl.handle.net/20.500.12272/10957
dc.language.iso	eng	es_ES
dc.rights	openAccess	es_ES
dc.rights.holder	Caglieri , Silvana	es_ES
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/4.0/	*
dc.rights.uri	Attribution-NonCommercial-NoDerivatives 4.0 Internacional	*
dc.rights.use	creativecommons.org/licenses/by-nc-sa/4.0/	es_ES
dc.source	16 International Symposium	es_ES
dc.subject	AM1	es_ES
dc.subject	Acetylation	es_ES
dc.subject	Methylamine	es_ES
dc.title	Theoretical study of acid acetylation of methylamine	es_ES
dc.type	info:eu-repo/semantics/report	es_ES
dc.type.version	publisherVersion	es_ES

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