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Structural flexibility of 4,4′-methylene diphenyl diisocyanate (4,4′-MDI): evidence from first principles calculations
A reactant used globally in the production of polyurethane is the molecule 4,4′-methylene diphenyl diisocyanate (4,4′-MDI). The structural flexibility of 4,4′-MDI is one of the most important molecular properties influencing the polymerization process and this property was therefore modeled using de...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3936137/ https://www.ncbi.nlm.nih.gov/pubmed/24522379 http://dx.doi.org/10.1007/s00894-014-2097-8 |