Electronic structure data at ground and excited state of the structural and opto-electronic properties of organic photovoltaic materials

This work presents data coming from electronic structure calculations at the Density Functional Theory level, performed in a series of organic photovoltaic materials. The data represents the Cartesian coordinates of such molecular systems at the lowest energy geometry and at the first excited state....

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Detalles Bibliográficos
Autores principales: Delesma, Cornelio, Amador-Bedolla, Carlos, Robles, Miguel, Muñiz, Jesús
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8039554/
https://www.ncbi.nlm.nih.gov/pubmed/33850983
http://dx.doi.org/10.1016/j.dib.2021.106952

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8039554/
https://www.ncbi.nlm.nih.gov/pubmed/33850983
http://dx.doi.org/10.1016/j.dib.2021.106952

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