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Combined experimental and TD-DFT/DMOl(3) investigations, optical properties, and photoluminescence behavior of a thiazolopyrimidine derivative

We present here the FT-IR, DFT computation, XRD, optical, and photophysical characterization of a heterocyclic compound with thienopyrimidine and pyran moieties. TD-DFT/DMOl(3) and TD-DFT/CASTEP computations were used to study the geometry of isolated and dimer molecules and their optical behavior....

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Detalles Bibliográficos
Autores principales:	Abozeed, Amina A., Younis, Osama, Al-Hossainy, Ahmed F., El-Mawla, Nada Abd, Sayed, Mostafa, M. Kamal El-dean, Adel, Tolba, Mahmoud S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9485139/ https://www.ncbi.nlm.nih.gov/pubmed/36123356 http://dx.doi.org/10.1038/s41598-022-19840-y

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