Nadia Rega

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 37

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

Università degli Studi di Napoli Federico II

Università degli Studi di Napoli Federico II (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Università degli Studi di Napoli Federico II Dec 01 2010

Italy

Professor :: Department of Chemical Sciences

Education History

Università degli Studi di Napoli Federico II Feb 01 2000

Italy

PHD :: Dipartimento di Chimica

Publications

Feven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, Carlo Adamo, Nadia Rega, Ilaria Ciofini
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors. The journal of physical chemistry. A (2024)
Federico Coppola, Paola Cimino, Alessio Petrone, Nadia Rega
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex. The journal of physical chemistry. A 128 (9) (2024)
Gabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, Alessio Petrone, Carlo Altucci, Nadia Rega
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Federico Coppola, Paola Cimino, Alessio Petrone, Nadia Rega
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex. The journal of physical chemistry. A (2024)
Gabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, Alessio Petrone, Carlo Altucci, Nadia Rega
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Feven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, Carlo Adamo, Nadia Rega, Ilaria Ciofini
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors. The journal of physical chemistry. A 128 (21) (2024)
Gabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, Alessio Petrone, Carlo Altucci, Nadia Rega
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study. Physical chemistry chemical physics : PCCP (2024)
Fulvio Perrella, Federico Coppola, Nadia Rega, Alessio Petrone
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning. Molecules (Basel, Switzerland) 28 (8) (2023)
Edoardo Buttarazzi, Fulvio Perrella, Nadia Rega, Alessio Petrone
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations. Journal of chemical theory and computation (2023)
Fulvio Perrella, Federico Coppola, Nadia Rega, Alessio Petrone
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning. Molecules (Basel, Switzerland) 28 (8) (2023)
Fulvio Perrella, Alessio Petrone, Nadia Rega
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments. Journal of chemical theory and computation (2023)
Fulvio Perrella, Federico Coppola, Nadia Rega, Alessio Petrone
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning. Molecules (Basel, Switzerland) 28 (8) (2023)
Fulvio Perrella, Alessio Petrone, Nadia Rega
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments. Journal of chemical theory and computation (2023)
Fulvio Perrella, Federico Coppola, Nadia Rega, Alessio Petrone
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning. Molecules (Basel, Switzerland) 28 (8) (2023)
Luigi Crisci, Federico Coppola, Alessio Petrone, Nadia Rega
Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivatives. Journal of computational chemistry (2023)
Fulvio Perrella, Alessio Petrone, Nadia Rega
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments. Journal of chemical theory and computation (2023)
Greta Donati, Nadia Rega
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation. International journal of molecular sciences 23 (24) (2022)
Fulvio Perrella, Xiaosong Li, Alessio Petrone, Nadia Rega
Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells. JACS Au 3 (1) (2022)
Fulvio Perrella, Xiaosong Li, Alessio Petrone, Nadia Rega
Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells. JACS Au 3 (1) (2022)
Greta Donati, Nadia Rega
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation. International journal of molecular sciences 23 (24) (2022)
Greta Donati, Nadia Rega
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation. International journal of molecular sciences 23 (24) (2022)
Federico Coppola, Paola Cimino, Fulvio Perrella, Luigi Crisci, Alessio Petrone, Nadia Rega
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics. The journal of physical chemistry. A (2022)
Éric Brémond, Marika Savarese, Nadia Rega, Ilaria Ciofini, Carlo Adamo
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics. Journal of chemical theory and computation 18 (3) (2022)
Fulvio Perrella, Federico Coppola, Alessio Petrone, Chiara Platella, Daniela Montesarchio, Annarita Stringaro, Giampietro Ravagnan, Maria Pia Fuggetta, Nadia Rega, Domenica Musumeci
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. Biomolecules 11 (7) (2021)
Federico Coppola, Paola Cimino, Umberto Raucci, Maria Gabriella Chiariello, Alessio Petrone, Nadia Rega
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. Chemical science 12 (23) (2021)
Fulvio Perrella, Alessio Petrone, Nadia Rega
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4-, [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], via ab initio molecular dynamics. Physical chemistry chemical physics : PCCP 23 (40) (2021)
Maria Gabriella Chiariello, Umberto Raucci, Greta Donati, Nadia Rega
Water-Mediated Excited State Proton Transfer of Pyranine-Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics. The journal of physical chemistry. A 125 (17) (2021)
Maria Gabriella Chiariello, Greta Donati, Umberto Raucci, Fulvio Perrella, Nadia Rega
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution. The journal of physical chemistry. B 125 (36) (2021)
Umberto Raucci, Marika Savarese, Carlo Adamo, Ilaria Ciofini, Nadia Rega
Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine. The journal of physical chemistry letters 11 (22) (2020)
Umberto Raucci, Maria Gabriella Chiariello, Nadia Rega
Modeling Excited-State Proton Transfer to Solvent: A Dynamics Study of a Super Photoacid with a Hybrid Implicit/Explicit Solvent Model. Journal of chemical theory and computation 16 (11) (2020)
Umberto Raucci, Maria Gabriella Chiariello, Federico Coppola, Fulvio Perrella, Marika Savarese, Ilaria Ciofini, Nadia Rega
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions. Journal of computational chemistry 41 (20) (2020)
Umberto Raucci, Fulvio Perrella, Greta Donati, Maria Zoppi, Alessio Petrone, Nadia Rega
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study. Journal of computational chemistry 41 (26) (2020)
Maria Gabriella Chiariello, Greta Donati, Nadia Rega
Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution. Journal of chemical theory and computation 16 (10) (2020)
Maria Gabriella Chiariello, Nadia Rega
Exploring Nuclear Photorelaxation of Pyranine in Aqueous Solution: an Integrated Ab-Initio Molecular Dynamics and Time Resolved Vibrational Analysis Approach. The journal of physical chemistry. A 122 (11) (2018)
Fulvio Perrella, Umberto Raucci, Maria Gabriella Chiariello, Marco Chino, Ornella Maglio, Angelina Lombardi, Nadia Rega
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation. Biopolymers 109 (10) (2018)
Greta Donati, Alessio Petrone, Pasquale Caruso, Nadia Rega
The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics. Chemical science 9 (5) (2018)
Umberto Raucci, Ilaria Ciofini, Carlo Adamo, Nadia Rega
Unveiling the Reactivity of a Synthetic Mimic of the Oxygen Evolving Complex. The journal of physical chemistry letters 7 (24) (2016)

Nadia Rega.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Nadia Rega