Publications by authors named "Nadia Rega"

Claim this Profile
T
Transient vibrational dynamics unveils the intricate mechanism of ultrafast photorelaxation in a molecular rotor.
Raoul Carfora, Alessio Petrone, Federico Coppola, Nadia Rega

J Chem Phys· September 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
U
Unveiling Vibrational Couplings in Model Peptides in Solution by a Theoretical Approach.
Federico Coppola, Fulvio Perrella, Alessio Petrone, Greta Donati, Luciana Marinelli, Nadia Rega

Molecules· July 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Dynamics of energy-selected fragments from nucleobase-protein interaction molecular models revealed by combined photoelectron-photoion coincidence spectroscopy and theoretical simulation.
Mohammadhassan Valadan, Fulvio Perrella, Laura Carlini, Gabriele Iuzzolino, Jacopo Chiarinelli, Nadia Rega

J Chem Phys· July 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Electronic Structure and Vibrational Properties of Indenotetracene-Based Crystal.
Federico Coppola, Raoul Carfora, Nadia Rega

J Comput Chem· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Cost-Effective Computational Strategy for the Electronic Layout Characterization of a Second Generation Light-Driven Molecular Rotary Motor in Solution.
Raoul Carfora, Federico Coppola, Paola Cimino, Alessio Petrone, Nadia Rega

J Comput Chem· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Second-Order Mass-Weighting Scheme for Atom-Centered Density Matrix Propagation Molecular Dynamics.
Fulvio Perrella, Alessio Petrone, Nadia Rega

J Chem Theory Comput· October 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Editorial: Hot topic: excited state processes in biomolecules.
Chong Fang, Nadia Rega, Malgorzata Biczysko

Front Chem· July 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors.
Feven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, Carlo Adamo, Nadia Rega

J Phys Chem A· May 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study.
Gabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, Alessio Petrone, Carlo Altucci, Nadia Rega

Phys Chem Chem Phys· April 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex.
Federico Coppola, Paola Cimino, Alessio Petrone, Nadia Rega

J Phys Chem A· March 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivatives.
Luigi Crisci, Federico Coppola, Alessio Petrone, Nadia Rega

J Comput Chem· February 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
W
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations.
Edoardo Buttarazzi, Fulvio Perrella, Nadia Rega, Alessio Petrone

J Chem Theory Comput· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning.
Fulvio Perrella, Federico Coppola, Nadia Rega, Alessio Petrone

Molecules· April 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
U
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments.
Fulvio Perrella, Alessio Petrone, Nadia Rega

J Chem Theory Comput· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells.
Fulvio Perrella, Xiaosong Li, Alessio Petrone, Nadia Rega

JACS Au· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation.
Greta Donati, Nadia Rega

Int J Mol Sci· December 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics.
Federico Coppola, Paola Cimino, Fulvio Perrella, Luigi Crisci, Alessio Petrone, Nadia Rega

J Phys Chem A· September 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics.
Éric Brémond, Marika Savarese, Nadia Rega, Ilaria Ciofini, Carlo Adamo

J Chem Theory Comput· March 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)(NCS)], [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], molecular dynamics.
Fulvio Perrella, Alessio Petrone, Nadia Rega

Phys Chem Chem Phys· October 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution.
Maria Gabriella Chiariello, Greta Donati, Umberto Raucci, Fulvio Perrella, Nadia Rega

J Phys Chem B· September 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
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.
Fulvio Perrella, Federico Coppola, Alessio Petrone, Chiara Platella, Daniela Montesarchio, Nadia Rega

Biomolecules· July 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
W
Water-Mediated Excited State Proton Transfer of Pyranine-Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics.
Maria Gabriella Chiariello, Umberto Raucci, Greta Donati, Nadia Rega

J Phys Chem A· May 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
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.
Federico Coppola, Paola Cimino, Umberto Raucci, Maria Gabriella Chiariello, Alessio Petrone, Nadia Rega

Chem Sci· April 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine.
Umberto Raucci, Marika Savarese, Carlo Adamo, Ilaria Ciofini, Nadia Rega

J Phys Chem Lett· November 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From Molecular Dynamics.
Federico Coppola, Fulvio Perrella, Alessio Petrone, Greta Donati, Nadia Rega

Front Mol Biosci· October 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis