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A Theoretical Study on the Phosgenation of 2,4-Toluenediamine (2,4-TDA)

Industrially relevant phosgenation mechanisms of 2,4-toluenediamine (2,4-TDA) were investigated using G3MP2B3 model chemistry. Six reaction pathways had been explored, which resulted in the formation of toluene diisocyanate (2,4-TDI) including different scenarios of the ‘phosgenations first’ and ‘co...

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Detalles Bibliográficos
Autores principales:	Thangaraj, Ravikumar, Horváth, Tamás, Boros, R. Zsanett, Viskolcz, Béla, Szőri, Milán
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9182759/ https://www.ncbi.nlm.nih.gov/pubmed/35683928 http://dx.doi.org/10.3390/polym14112254

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