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Temperature-Dependent Conformation Behavior of Isolated Poly(3-hexylthiopene) Chains
We use atomistic as well as coarse-grained molecular dynamics simulations to study the conformation of a single poly(3-hexylthiopene) chain as a function of temperature. We find that mainly bundle and toroid structures appear with bundles becoming more abundant for decreasing temperatures. We compar...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8840214/ https://www.ncbi.nlm.nih.gov/pubmed/35160539 http://dx.doi.org/10.3390/polym14030550 |