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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...

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Detalles Bibliográficos
Autores principales: Jahani, Seyedehdelaram, Boguslawski, Katharina, Tecmer, Paweł
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
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