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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| 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 |