Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution

por Chiariello, Maria Gabriella, Donati, Greta, Rega, Nadia
Publicado 2020

Modeling Excited-State Proton Transfer to Solvent: A Dynamics Study of a Super Photoacid with a Hybrid Implicit/Explicit Solvent Model

por Raucci, Umberto, Chiariello, Maria Gabriella, Rega, Nadia
Publicado 2020

Water-Mediated Excited State Proton Transfer of Pyranine–Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics

por Chiariello, Maria Gabriella, Raucci, Umberto, Donati, Greta, Rega, Nadia
Publicado 2021

pH-Dependent Conformational Switch Impacts Stability of the PsbS Dimer

por Chiariello, Maria Gabriella, Grünewald, Fabian, Zarmiento-Garcia, Rubi, Marrink, Siewert J.
Publicado 2023

Exploring the Franck–Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure...

por Coppola, Federico, Cimino, Paola, Raucci, Umberto, Chiariello, Maria Gabriella, Petrone, Alessio, Rega, Nadia
Publicado 2021