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Linear and Nonlinear Optical Responses of Nitrobenzofurazan-Sulfide Derivatives: DFT-QTAIM Investigation on Twisted Intramolecular Charge Transfer

[Image: see text] In this study, we report on the green fluorescence exhibited by nitrobenzofurazan-sulfide derivatives (NBD-S(i), i = 1–4). The optical responses of these studied compounds in a polar methanol solvent were simulated by the use of time-dependent density functional theory (TD-DFT) emp...

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Detalles Bibliográficos
Autores principales:	Abdelaziz, Balkis, Chérif, Imen, Gassoumi, Bouzid, Patanè, Salvatore, Ayachi, Sahbi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694821/ https://www.ncbi.nlm.nih.gov/pubmed/37972307 http://dx.doi.org/10.1021/acs.jpca.3c04277

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