COPPOLA, FEDERICO
COPPOLA, FEDERICO
Molecular sciences for earth and space
A Cost‐Effective Computational Strategy for the Electronic Layout Characterization of a Second Generation Light‐Driven Molecular Rotary Motor in Solution
2025-01-01 Carfora, Raoul; Coppola, Federico; Cimino, Paola; Petrone, Alessio; 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
2020-01-01 Coppola, F.; Perrella, F.; Petrone, A.; Donati, G.; Rega, N.
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics
2020-01-01 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
2020-01-01 Raucci, U.; Chiariello, M. G.; Coppola, F.; Perrella, F.; Savarese, M.; Ciofini, I.; Rega, N.
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions
2020-01-01 Raucci, U.; Chiariello, M. G.; Coppola, F.; Perrella, F.; Savarese, M.; Ciofini, I.; Rega, N.
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
2023-01-01 Perrella, Fulvio; Coppola, Federico; Rega, Nadia; Petrone, Alessio
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
2023-01-01 Perrella, Fulvio; Coppola, Federico; Rega, Nadia; Petrone, Alessio
Dynamics of energy-selected fragments from nucleobase–protein interaction molecular models revealed by combined photoelectron–photoion coincidence spectroscopy and theoretical simulation
2025-01-01 Valadan, Mohammadhassan; Perrella, Fulvio; Carlini, Laura; Iuzzolino, Gabriele; Chiarinelli, Jacopo; Coppola, Federico; Richter, Robert; Schiano, Carlo; Petrone, Alessio; Bolognesi, Paola; Avaldi, Lorenzo; Altucci, Carlo; Rega, Nadia
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics
2022-01-01 Coppola, Federico; Cimino, Paola; Perrella, Fulvio; Crisci, Luigi; Petrone, Alessio; Rega, Nadia
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics
2022-01-01 Coppola, Federico; Cimino, Paola; Perrella, Fulvio; Crisci, Luigi; Petrone, Alessio; Rega, Nadia
Electronic Structure and Vibrational Properties of Indenotetracene‐Based Crystal
2025-01-01 Coppola, Federico; Carfora, Raoul; Rega, Nadia
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex
2024-01-01 Coppola, Federico; Cimino, Paola; Petrone, Alessio; Rega, Nadia
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
2021-01-01 Coppola, F.; Cimino, P.; Raucci, U.; Chiariello, M. G.; Petrone, A.; Rega, N.
Front Cover: Unraveling Phenanthrenoid Dimerization in Juncus acutus: A DFT‐Guided Exploration of Radical‐Coupling Reaction Mechanisms (Eur. J. Org. Chem. 13/2025)
2025-01-01 Coppola, Federico; Cimino, Paola; Rega, Nadia; Zuppolini, Simona; Di Fabio, Giovanni; Zarrelli, Armando
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
2021-01-01 Perrella, F.; Coppola, F.; Petrone, A.; Platella, C.; Montesarchio, D.; Stringaro, A.; Ravagnan, G.; Fuggetta, M. P.; Rega, N.; Musumeci, D.
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
2021-01-01 Perrella, F.; Coppola, F.; Petrone, A.; Platella, C.; Montesarchio, D.; Stringaro, A.; Ravagnan, G.; Fuggetta, M. P.; Rega, N.; Musumeci, D.
Key Role of Electronic and Structural Properties in Regulating Intersystem Crossing: An In-Depth Investigation on Naphthalene-Diimide Triads for Thermally Activated Delayed Fluorescence Applications
2024-01-01 Coppola, Federico; Hussain, Mushraf; Zhao, Jianzhang; El-Zohry, Ahmed M.; Pastore, Mariachiara
Norbornadiene/Quadricyclane System in the Spotlight: The Role of Rydberg States and Dynamic Electronic Correlation in a Solar‐Thermal Building Block
2023-01-01 Coppola, Federico; Nucci, Martina; Marazzi, Marco; Rocca, Dario; Pastore, Mariachiara
On the different strength of photoacids
2016-01-01 Cimino, Paola; Raucci, Umberto; Donati, Greta; Chiariello, MARIA GABRIELLA; Schiazza, Martina; Coppola, Federico; Rega, Nadia
Tetracyanoethylene $$\hbox {Na}^+$$/$$\hbox {K}^+$$ radical anion coordination sites unveiled via electronic and vibrational fingerprints
2024-01-01 Coppola, Federico; Carfora, Raoul; Cimino, Paola; Petrone, Alessio; Rega, Nadia