Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory. - Nino Russo; Marirosa Toscano; André Grand; Franck Jolibois (J. Comput. Chem., 1998)

Theoretical determination of electron affinity and ionization potential of DNA and RNA bases. - Nino Russo; Marirosa Toscano; André Grand (J. Comput. Chem., 2000)

Some examples on the performance of density functional theory in the description of bioinorganic systems and processes. - Tiziana Marino; Nino Russo; Emilia Sicilia; Marirosa Toscano (BIBE, 2015)

Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory. - Marta Erminia Alberto; Bruna Clara De Simone; Simona Liuzzi; Tiziana Marino; Nino Russo; Marirosa Toscano (J. Comput. Chem., 2020)

Photophysical properties of heavy atom containing tetrasulfonyl phthalocyanines as possible photosensitizers in photodynamic therapy. - Bruna Clara De Simone; Marta Erminia Alberto; Nino Russo; Marirosa Toscano (J. Comput. Chem., 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)

On the antibacterial photodynamic inactivation mechanism of Emodin and Dermocybin natural photosensitizers: A theoretical investigation. - Alessandra G. Ritacca; Mario Prejanò; Marta Erminia Alberto; Tiziana Marino; Marirosa Toscano; Nino Russo (J. Comput. Chem., 2024)

Chalcogen atom effect on the intersystem crossing kinetic constant of oxygen- and sulfur disubstituted heteroporphyrins. - Wichien Sang-aroon; Marta Erminia Alberto; Marirosa Toscano; Nino Russo (J. Comput. Chem., 2024)