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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.The Journal of Physical Chemistry. A|May 17, 2024
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density DescriptorsFeven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, et al.Journal of Computational Chemistry|June 6, 2020
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactionsUmberto Raucci, Maria Gabriella Chiariello, Federico Coppola, et al.Biopolymers|August 10, 2018
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigationFulvio Perrella, Umberto Raucci, Maria Gabriella Chiariello, et al.Biomolecules|August 6, 2021
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 AssaysFulvio Perrella, Federico Coppola, Alessio Petrone, et al.The Journal of Chemical Physics|July 15, 2025
Dynamics of energy-selected fragments from nucleobase-protein interaction molecular models revealed by combined photoelectron-photoion coincidence spectroscopy and theoretical simulationMohammadhassan Valadan, Fulvio Perrella, Laura Carlini, et al.Physical Chemistry Chemical Physics : PCCP|June 16, 2026
The Newton-X platform for mixed quantum-classical dynamicsMario Barbatti, Rafael S Mattos, Baptiste Demoulin, et al.Pageof 2