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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...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3936137/ https://ncbi.nlm.nih.gov/pubmed/24522379 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-014-2097-8 |
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