Cut-off Scale and Complex Formation in Density Functional Theory Computations of Epoxy-Amine Reactivity

[Image: see text] Most of the properties of epoxy resins are tied to their degree of cross-linking, making understanding the reactivity of different epoxy systems a crucial aspect of their utilization. Here, epoxy-amine reactivity is studied with density functional theory (DFT) at various cut-off le...

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Detalles Bibliográficos
Autores principales: Laurikainen, Pekka V., Sarlin, Essi L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587129/
https://www.ncbi.nlm.nih.gov/pubmed/34778615
http://dx.doi.org/10.1021/acsomega.1c03229

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587129/
https://www.ncbi.nlm.nih.gov/pubmed/34778615
http://dx.doi.org/10.1021/acsomega.1c03229

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