Quantum Mechanical-Based Quantitative Structure–Property Relationships for Electronic Properties of Two Large Classes of Organic Semiconductor Materials: Polycyclic Aromatic Hydrocarbons and Thienoacenes

[Image: see text] In this study, the degree of the π-orbital overlap (DPO) model proposed earlier for polycyclic aromatic hydrocarbons (PAH) was employed to develop quantitative structure–property relationships (QSPRs) for band gaps, ionization potentials, and electron affinities of thienoacenes. DP...

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Detalles Bibliográficos
Autores principales: Nguyen, Lam H., Nguyen, Tuan H., Truong, Thanh N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649276/
https://www.ncbi.nlm.nih.gov/pubmed/31459846
http://dx.doi.org/10.1021/acsomega.9b00513

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649276/
https://www.ncbi.nlm.nih.gov/pubmed/31459846
http://dx.doi.org/10.1021/acsomega.9b00513

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