Electronic spectra and intersystem spin-orbit coupling in 1, 2- and 1, 3-squaraines. - Marta Erminia Alberto; Gloria Mazzone; Angelo Domenico Quartarolo; Flavio Fortes Ramos Sousa; Emilia Sicilia; Nino Russo (J. Comput. Chem., 2014)

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms. - Gloria Mazzone; Annia Galano; Juan Raúl Alvarez-Idaboy; Nino Russo (J. Chem. Inf. Model., 2016)

Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents. - Jenny Pirillo; Gloria Mazzone; Nino Russo; Luca Bertini (J. Chem. Inf. Model., 2017)

A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study. - Bernardino Tirri; Gloria Mazzone; Alistar Ottochian; Jérôme Gomar; Umberto Raucci; Carlo Adamo; Ilaria Ciofini (J. Comput. Chem., 2021)

A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations. - Alessandra G. Ritacca; Ida Ritacco; Eslam Dabbish; Nino Russo; Gloria Mazzone; Emilia Sicilia (J. Chem. Inf. Model., 2021)

On the origin of photodynamic activity of hypericin and its iodine-containing derivatives. - Bruna Clara De Simone; Gloria Mazzone; Marirosa Toscano; Nino Russo (J. Comput. Chem., 2022)

Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT-related properties. - Pierraffaele Barretta; Stefano Scoditti; Daniele Belletto; Fortuna Ponte; Vincenzo Vigna; Gloria Mazzone; Emilia Sicilia (J. Comput. Chem., 2024)

Computational assessment of the use of graphene-based nanosheets as PtII chemotherapeutics delivery systems. - Daniele Belletto; Vincenzo Vigna; Pierraffaele Barretta; Fortuna Ponte; Gloria Mazzone; Stefano Scoditti; Emilia Sicilia (J. Comput. Chem., 2024)