Nino Russo

31 papers C 1Journal 30
YearRankTypeTitle / Venue / Authors
2025 J jnl
Structures and Solvation Energies Effects Versus Temperature. An MP2 Investigations in the Framework of Cluster Model.
J. Comput. Chem.
Awatef Hattab, Alhadji Malloum, Zoubeida Dhaouadi, Nino Russo
2024 J jnl
Chalcogen atom effect on the intersystem crossing kinetic constant of oxygen- and sulfur disubstituted heteroporphyrins.
J. Comput. Chem.
Wichien Sang-aroon, Marta Erminia Alberto, Marirosa Toscano, Nino Russo
2024 J jnl
On the antibacterial photodynamic inactivation mechanism of Emodin and Dermocybin natural photosensitizers: A theoretical investigation.
J. Comput. Chem.
Alessandra G. Ritacca, Mario Prejanò, Marta Erminia Alberto, Tiziana Marino, Marirosa Toscano, Nino Russo
2024 J jnl
On the dual role of (+)-catechin as primary antioxidant and inhibitor of viral proteases.
Comput. Biol. Medicine
Giada Ciardullo, Carla Orlando, Nino Russo, Emanuela Marchese, Annia Galano, Tiziana Marino, Mario Prejanò
2022 J jnl
On the origin of photodynamic activity of hypericin and its iodine-containing derivatives.
J. Comput. Chem.
Bruna Clara De Simone, Gloria Mazzone, Marirosa Toscano, Nino Russo
2021 J jnl
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations.
J. Chem. Inf. Model.
Alessandra G. Ritacca, Ida Ritacco, Eslam Dabbish, Nino Russo, Gloria Mazzone, Emilia Sicilia
2021 J jnl
Computational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1, 2, 3-Dithiazoles.
J. Chem. Inf. Model.
Mario Prejanò, Isabella Romeo, Maria Antonietta La Serra, Nino Russo, Tiziana Marino
2021 J jnl
Photophysical properties of heavy atom containing tetrasulfonyl phthalocyanines as possible photosensitizers in photodynamic therapy.
J. Comput. Chem.
Bruna Clara De Simone, Marta Erminia Alberto, Nino Russo, Marirosa Toscano
2020 J jnl
Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory.
J. Comput. Chem.
Marta Erminia Alberto, Bruna Clara De Simone, Simona Liuzzi, Tiziana Marino, Nino Russo, Marirosa Toscano
2019 J jnl
Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3)n = 1-10]+ clusters from DFT and MP2 investigations.
J. Comput. Chem.
Awatef Hattab, Zoubeida Dhaouadi, Alhadji Malloum, Jean Jules Fifen, Souad Lahmar, Nino Russo, Emilia Sicilia
2019 J jnl
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics.
J. Comput. Chem.
Diego Cesario, Mariagrazia Fortino, Tiziana Marino, Francesca Nunzi, Nino Russo, Emilia Sicilia
2018 J jnl
B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations.
J. Comput. Chem.
Chiara Ricca, Frédéric Labat, Claudia Zavala, Nino Russo, Carlo Adamo, Gabriel Merino, Emilia Sicilia
2017 J jnl
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents.
J. Chem. Inf. Model.
Jenny Pirillo, Gloria Mazzone, Nino Russo, Luca Bertini
2016 J jnl
Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms.
J. Chem. Inf. Model.
Gloria Mazzone, Annia Galano, Juan Raúl Alvarez-Idaboy, Nino Russo
2015 C conf
Some examples on the performance of density functional theory in the description of bioinorganic systems and processes.
BIBE
Tiziana Marino, Nino Russo, Emilia Sicilia, Marirosa Toscano
2014 J jnl
Electronic spectra and intersystem spin-orbit coupling in 1, 2- and 1, 3-squaraines.
J. Comput. Chem.
Marta Erminia Alberto, Gloria Mazzone, Angelo Domenico Quartarolo, Flavio Fortes Ramos Sousa, Emilia Sicilia, Nino Russo
2013 J jnl
Bisanthracene Bis(dicarboxylic imide)s as Potential Photosensitizers in Photodynamic Therapy: A Theoretical Investigation.
J. Chem. Inf. Model.
Marta Erminia Alberto, Cristina Iuga, Angelo Domenico Quartarolo, Nino Russo
2012 J jnl
A TDDFT investigation of bay substituted perylenediimides: Absorption and intersystem crossing.
J. Comput. Chem.
Angelo Domenico Quartarolo, Sandro Giuseppe Chiodo, Nino Russo
2009 J jnl
One-electron spin-orbit contribution by effective nuclear charges.
J. Comput. Chem.
Sandro Chiodo, Nino Russo
2008 J jnl
Determination of spin-orbit coupling contributions in the framework of density functional theory.
J. Comput. Chem.
Sandro Chiodo, Nino Russo
2008 J jnl
Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction.
J. Comput. Chem.
Gennady N. Chuev, Maxim V. Fedorov, Sandro Chiodo, Nino Russo, Emilia Sicilia
2006 J jnl
Methane activation by chromium oxide cations in the gas phase: A theoretical study.
J. Comput. Chem.
Ivan Rivalta, Nino Russo, Emilia Sicilia
2005 J jnl
Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O.
J. Comput. Chem.
Maria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, Bernard Silvi
2005 J jnl
Newly developed basis sets for density functional calculations.
J. Comput. Chem.
Sandro Chiodo, Nino Russo, Emilia Sicilia
2004 J jnl
Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules.
J. Comput. Chem.
Maria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, Bernard Silvi
2004 J jnl
On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation.
J. Comput. Chem.
Mihai V. Putz, Nino Russo, Emilia Sicilia
2001 J jnl
On the interaction of Mo and Mo2 with NH3, C2H4, and C3H6 .
J. Comput. Chem.
Corinne Lacaze-Dufaure, Tzonka Mineva, Nino Russo
2000 J jnl
Theoretical determination of electron affinity and ionization potential of DNA and RNA bases.
J. Comput. Chem.
Nino Russo, Marirosa Toscano, André Grand
1998 J jnl
Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory.
J. Comput. Chem.
Nino Russo, Marirosa Toscano, André Grand, Franck Jolibois
1998 J jnl
Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method.
J. Comput. Chem.
Tzonka Mineva, Nino Russo, Emilia Sicilia
1995 J jnl
Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives.
J. Comput. Aided Mol. Des.
Piercarlo Fantucci, Tiziana Marino, Nino Russo, Anna Maria Villa