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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...

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Detalles Bibliográficos
Autores principales: Nguyen, Lam H., Truong, Thanh N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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