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DFT (density functional theory) studies on cycloisomerization of 15–membered triazatriacetylenic macrocycle

The mechanism as well the stereochemistry of cascade cycloisomerization of 15–membered triazatriacetylenic macrocycle was investigated theoretically by using M062X/6–31+G(d,p) and M062X/LANL2DZ calculations. The results showed that the mechanism and outcome of the reaction depended on the absence an...

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Detalles Bibliográficos
Autores principales:	MOVAHEDI, Mansooreh, ZABARJAD SHIRAZ, Nader, EZABADI, Ali, SAMADIZADEH, Marjaneh, TALEI BAVIL OLYAI, Mohamad Reza
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Scientific and Technological Research Council of Turkey 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596536/ https://www.ncbi.nlm.nih.gov/pubmed/34849071 http://dx.doi.org/10.3906/kim-2012-15

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