Cargando…
On the Electrochromic Properties of Borepins: A Computational Prediction
[Image: see text] The spectroelectrochemical features of some recently synthesized borepins have been predicted herein using the methods based on density functional theory. The computed electronic spectra of neutral, radical anion, and dianion species clearly suggest that these molecules can be used...
Autores principales: | De Simone, Bruna Clara, Mazzone, Gloria, Marino, Tiziana, Russo, Nino, Toscano, Marirosa |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2018
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645310/ https://www.ncbi.nlm.nih.gov/pubmed/31459087 http://dx.doi.org/10.1021/acsomega.8b01288 |
Ejemplares similares
-
Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems
por: De Simone, Bruna Clara, et al.
Publicado: (2017) -
The Contribution of Density Functional Theory to the Atomistic Knowledge of Electrochromic Processes
por: De Simone, Bruna Clara, et al.
Publicado: (2021) -
Metal Atom Effect on the Photophysical Properties of Mg(II), Zn(II), Cd(II), and Pd(II) Tetraphenylporphyrin Complexes Proposed as Possible Drugs in Photodynamic Therapy
por: De Simone, Bruna Clara, et al.
Publicado: (2017) -
Photophysical Properties of Nitrated and Halogenated Phosphorus Tritolylcorrole Complexes: Insights from Theory
por: Alberto, Marta Erminia, et al.
Publicado: (2018) -
On the origin of photodynamic activity of hypericin and its iodine‐containing derivatives
por: De Simone, Bruna Clara, et al.
Publicado: (2022)