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Development of hybrid coarse-grained atomistic models for rapid assessment of local structuring of polymeric semiconductors
Decades of work in the field of computational study of semiconducting polymers using atomistic models illustrate the challenges of generating equilibrated models for this class of materials. While adopting a coarse-grained model can be helpful, the process of developing a suitable model is particula...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9074845/ https://www.ncbi.nlm.nih.gov/pubmed/35646391 http://dx.doi.org/10.1039/d1me00165e |