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Quantitative Structure–Property Relationships for the Electronic Properties of Polycyclic Aromatic Hydrocarbons
[Image: see text] This study presents a development in quantitative structure–property relationships (QSPRs) for research in organic semiconductor materials by introducing a new structural descriptor called “degree of π-orbital overlap” based on two-dimensional structure information of aromatic mole...
| 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/PMC6644371/ https://www.ncbi.nlm.nih.gov/pubmed/31459023 http://dx.doi.org/10.1021/acsomega.8b00870 |