Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds

[Image: see text] Ab initio molecular electronic structure computations of thiophene-based compounds constitute an active field of research prompted by the growing interest in low-cost materials for organic electronic devices. In particular, the modeling of electronically excited states and other ti...

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Detalles Bibliográficos
Autores principales: Prlj, Antonio, Curchod, Basile F. E., Fabrizio, Alberto, Floryan, Leonard, Corminboeuf, Clémence
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4598019/
https://www.ncbi.nlm.nih.gov/pubmed/26263085
http://dx.doi.org/10.1021/jz5022087

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4598019/
https://www.ncbi.nlm.nih.gov/pubmed/26263085
http://dx.doi.org/10.1021/jz5022087

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