COPPOLA, FEDERICO
COPPOLA, FEDERICO
DIPARTIMENTO DI SCIENZE CHIMICHE
On the different strength of photoacids
2016 Cimino, Paola; Raucci, Umberto; Donati, Greta; Chiariello, MARIA GABRIELLA; Schiazza, Martina; Coppola, Federico; Rega, Nadia
Unveiling anharmonic coupling by means of excited state ab initio dynamics: Application to diarylethene photoreactivity
2019 Chiariello, Maria Gabriella; Raucci, Umberto; Coppola, Federico; Rega, Nadia
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics
2020 Coppola, F.; Perrella, F.; Petrone, A.; Donati, G.; Rega, N.
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions
2020 Raucci, U.; Chiariello, M. G.; Coppola, F.; Perrella, F.; Savarese, M.; Ciofini, I.; Rega, N.
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
2021 Coppola, F.; Cimino, P.; Raucci, U.; Chiariello, M. G.; Petrone, A.; Rega, N.
Interference of polydatin/resveratrol in the ACE2:Spike recognition during COVID-19 infection. a focus on their potential mechanism of action through computational and biochemical assays
2021 Perrella, F.; Coppola, F.; Petrone, A.; Platella, C.; Montesarchio, D.; Stringaro, A.; Ravagnan, G.; Fuggetta, M. P.; Rega, N.; Musumeci, D.
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics
2022 Coppola, Federico; Cimino, Paola; Perrella, Fulvio; Crisci, Luigi; Petrone, Alessio; Rega, Nadia
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
2023 Perrella, Fulvio; Coppola, Federico; Rega, Nadia; Petrone, Alessio
Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivatives
2023 Crisci, Luigi; Coppola, Federico; Petrone, Alessio; Rega, Nadia
Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions
2022 Petrone, Alessio; Perrella, Fulvio; Coppola, Federico; Crisci, Luigi; Donati, Greta; Cimino, Paola; Rega, Nadia
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex
2024 Coppola, Federico; Cimino, Paola; Petrone, Alessio; Rega, Nadia