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High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers
[Image: see text] We propose a general high-throughput virtual screening approach for the optical and electronic properties of conjugated polymers. This approach makes use of the recently developed xTB family of low-computational-cost density functional tight-binding methods from Grimme and co-worke...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6307085/ https://www.ncbi.nlm.nih.gov/pubmed/29940733 http://dx.doi.org/10.1021/acs.jcim.8b00256 |