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Physical Chemistry Chemical Physics : PCCP|October 20, 2021
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)<sub>2</sub>(NCS)<sub>2</sub>]<sup>4-</sup>, [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], <i>via ab initio</i> molecular dynamicsFulvio Perrella, Alessio Petrone, Nadia RegaJournal of Chemical Theory and Computation|January 5, 2023
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex EnvironmentsFulvio Perrella, Alessio Petrone, Nadia RegaJournal of Chemical Theory and Computation|October 9, 2024
Second-Order Mass-Weighting Scheme for Atom-Centered Density Matrix Propagation Molecular DynamicsFulvio Perrella, Alessio Petrone, Nadia RegaJournal of Chemical Theory and Computation|November 22, 2023
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear VibrationsEdoardo Buttarazzi, Fulvio Perrella, Nadia Rega, et al.Molecules (Basel, Switzerland)|April 28, 2023
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised LearningFulvio Perrella, Federico Coppola, Nadia Rega, et al.JACS Au|January 30, 2023
Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar CellsFulvio Perrella, Xiaosong Li, Alessio Petrone, et al.Frontiers in Molecular Biosciences|November 16, 2020
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From <i>ab initio</i> Molecular DynamicsFederico Coppola, Fulvio Perrella, Alessio Petrone, et al.Molecules (Basel, Switzerland)|July 12, 2025
Unveiling Vibrational Couplings in Model Peptides in Solution by a Theoretical ApproachFederico Coppola, Fulvio Perrella, Alessio Petrone, et al.Physical Chemistry Chemical Physics : PCCP|April 2, 2024
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical studyGabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, et al.Journal of Computational Chemistry|August 10, 2020
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case studyUmberto Raucci, Fulvio Perrella, Greta Donati, et al.Pageof 9