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The relationship between structure and excited-state properties in polyanilines from geminal-based methods
We employ state-of-the-art quantum chemistry methods to study the structure-to-property relationship in polyanilines (PANIs) of different lengths and oxidation states. Specifically, we focus on leucoemeraldine, emeraldine, and pernigraniline in their tetramer and octamer forms. We scrutinize their s...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10509596/ https://www.ncbi.nlm.nih.gov/pubmed/37736567 http://dx.doi.org/10.1039/d3ra05621j |