Cargando…
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments
[Image: see text] Photoinduced charge transfer (CT) excited states and their relaxation mechanisms can be highly interdependent on the environment effects and the consequent changes in the electronic density. Providing a molecular interpretation of the ultrafast (subpicosecond) interplay between ini...
Autores principales: | Perrella, Fulvio, Petrone, Alessio, Rega, Nadia |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878732/ https://www.ncbi.nlm.nih.gov/pubmed/36602443 http://dx.doi.org/10.1021/acs.jctc.2c00794 |
Ejemplares similares
-
Electronic and
Vibrational Manifold of Tetracyanoethylene–Chloronaphthalene
Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio
Molecular Dynamics
por: Coppola, Federico, et al.
Publicado: (2022) -
Nature of the Ultrafast Interligands Electron Transfers
in Dye-Sensitized Solar Cells
por: Perrella, Fulvio, et al.
Publicado: (2022) -
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
por: Perrella, Fulvio, et al.
Publicado: (2023) -
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics
por: Coppola, Federico, et al.
Publicado: (2020) -
Exploring the Franck–Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure methods to unveil non-radiative pathways
por: Coppola, Federico, et al.
Publicado: (2021)