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Enhanced Computational Sampling of Perylene and Perylothiophene Packing with Rigid-Body Models
[Image: see text] Molecular simulations have the potential to advance the understanding of how the structure of organic materials can be engineered through the choice of chemical components but are limited by computational costs. The computational costs can be significantly lowered through the use o...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6640971/ https://www.ncbi.nlm.nih.gov/pubmed/31457236 http://dx.doi.org/10.1021/acsomega.6b00371 |