Nino Russo
Orcid: 0000-0003-3826-3386
According to our database1,
Nino Russo
authored at least 29 papers
between 1995 and 2024.
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Bibliography
2024
Chalcogen atom effect on the intersystem crossing kinetic constant of oxygen- and sulfur disubstituted heteroporphyrins.
J. Comput. Chem., June, 2024
On the antibacterial photodynamic inactivation mechanism of Emodin and Dermocybin natural photosensitizers: A theoretical investigation.
J. Comput. Chem., June, 2024
2022
On the origin of photodynamic activity of hypericin and its iodine-containing derivatives.
J. Comput. Chem., 2022
2021
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2021
Computational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1, 2, 3-Dithiazoles.
J. Chem. Inf. Model., 2021
Photophysical properties of heavy atom containing tetrasulfonyl phthalocyanines as possible photosensitizers in photodynamic therapy.
J. Comput. Chem., 2021
2020
Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory.
J. Comput. Chem., 2020
2019
Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3)n = 1-10]+ clusters from DFT and MP2 investigations.
J. Comput. Chem., 2019
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics.
J. Comput. Chem., 2019
2018
B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations.
J. Comput. Chem., 2018
2017
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents.
J. Chem. Inf. Model., 2017
2016
J. Chem. Inf. Model., 2016
2015
Some examples on the performance of density functional theory in the description of bioinorganic systems and processes.
Proceedings of the 15th IEEE International Conference on Bioinformatics and Bioengineering, 2015
2014
J. Comput. Chem., 2014
2013
Bisanthracene Bis(dicarboxylic imide)s as Potential Photosensitizers in Photodynamic Therapy: A Theoretical Investigation.
J. Chem. Inf. Model., 2013
2012
A TDDFT investigation of bay substituted perylenediimides: Absorption and intersystem crossing.
J. Comput. Chem., 2012
2009
J. Comput. Chem., 2009
2008
Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction.
J. Comput. Chem., 2008
Determination of spin-orbit coupling contributions in the framework of density functional theory.
J. Comput. Chem., 2008
2006
J. Comput. Chem., 2006
2005
Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O.
J. Comput. Chem., 2005
J. Comput. Chem., 2005
2004
On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation.
J. Comput. Chem., 2004
Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules.
J. Comput. Chem., 2004
2001
2000
Theoretical determination of electron affinity and ionization potential of DNA and RNA bases.
J. Comput. Chem., 2000
1998
Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory.
J. Comput. Chem., 1998
Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method.
J. Comput. Chem., 1998
1995
Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives.
J. Comput. Aided Mol. Des., 1995