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Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach

In opto-electronics, non-fullerene (NF) derivatives are regarded as efficient non-linear optical (NLO) materials. The present investigation was based on designing NF naphthalene-based derivatives (PCMD1–D9) with D-π-A configuration from PCMR. DFT analysis at M06/6-311G (d,p) level was accomplished t...

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Detalles Bibliográficos
Autores principales: Khalid, Muhammad, Shafiq, Iqra, Asghar, Muhammad Adnan, Braga, Ataualpa Albert Carmo, Alshehri, Saad M., Haroon, Muhammad, Sanyang, Muhammed Lamin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10654730/
https://www.ncbi.nlm.nih.gov/pubmed/37973880
http://dx.doi.org/10.1038/s41598-023-44327-9