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Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations

We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation and measured by neutron scattering on protonated samples reported in previo...

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Detalles Bibliográficos
Autores principales:	Khairy, Yasmin, Alvarez, Fernando, Arbe, Arantxa, Colmenero, Juan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7927061/ https://www.ncbi.nlm.nih.gov/pubmed/33672368 http://dx.doi.org/10.3390/polym13040670

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