Nino Russo

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Newly developed basis sets for density functional calculations

Sandro Chiodo, Nino Russo, Emilia Sicilia, 2005, J. Comput. Chem..

The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl‐based mimetics

Nino Russo, Emilia Sicilia, Diego Cesario, 2019, J. Comput. Chem..

Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O

Nino Russo, Maria Del Carmen Michelini, Mohammad Esmaïl Alikhani, 2005, J. Comput. Chem..

Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives

Nino Russo, Tiziana Marino, Piercarlo Fantucci, 1995, J. Comput. Aided Mol. Des..

Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules

Nino Russo, Maria Del Carmen Michelini, Mohammad Esmaïl Alikhani, 2004, J. Comput. Chem..

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms

Annia Galano, Nino Russo, J. Raúl Alvarez-Idaboy, 2016, J. Chem. Inf. Model..

Iodine substituted phosphorus corrole complexes as possible photosensitizers in photodynamic therapy: Insights from theory

Nino Russo, Marta E. Alberto, Bruna Clara De Simone, 2020, J. Comput. Chem..

A DFT study of the NO adsorption on Pdn (n = 1-4) clusters

Nino Russo, Emilia Sicilia, Corinne Lacaze-Dufaure, 2011 .

Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction

Maxim V. Fedorov, Gennady N. Chuev, Sandro Chiodo, 2008, J. Comput. Chem..

Some examples on the performance of density functional theory in the description of bioinorganic systems and processes

Nino Russo, Emilia Sicilia, Tiziana Marino, 2015, 2015 IEEE 15th International Conference on Bioinformatics and Bioengineering (BIBE).

Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents

Nino Russo, Gloria Mazzone, Luca Bertini, 2017, J. Chem. Inf. Model..

On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation

Mihai V. Putz, Nino Russo, Emilia Sicilia, 2004, J. Comput. Chem..

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, 1998, J. Comput. Chem..

Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3)n = 1−10]+ clusters from DFT and MP2 investigations

Nino Russo, Emilia Sicilia, Souad Lahmar, 2019, J. Comput. Chem..

Methane activation by chromium oxide cations in the gas phase: A theoretical study

Nino Russo, Emilia Sicilia, Ivan Rivalta, 2006, J. Comput. Chem..

On the interaction of Mo and Mo2 with NH3, C2H4, and C3H6

Nino Russo, Tzonka Mineva, Corinne Lacaze-Dufaure, 2001, J. Comput. Chem..

A TDDFT investigation of bay substituted perylenediimides: Absorption and intersystem crossing

Sandro Chiodo, Nino Russo, Angelo Domenico Quartarolo, 2012, J. Comput. Chem..

Bisanthracene Bis(dicarboxylic imide)s as Potential Photosensitizers in Photodynamic Therapy: A Theoretical Investigation

Nino Russo, Marta E. Alberto, Cristina Iuga, 2013, J. Chem. Inf. Model..

Determination of spin‐orbit coupling contributions in the framework of density functional theory

Sandro Chiodo, Nino Russo, N. Russo, 2008, J. Comput. Chem..

One‐electron spin‐orbit contribution by effective nuclear charges

Sandro Chiodo, Nino Russo, N. Russo, 2009, J. Comput. Chem..

Preface: Papers collected on the occasion of the 34th Congress of Chemists of Latin Expression (XXXIV CHITEL)

Vincenzo Aquilanti, Nino Russo, 2010 .

Electronic spectra and intersystem spin‐orbit coupling in 1,2‐ and 1,3‐squaraines

Nino Russo, Emilia Sicilia, Gloria Mazzone, 2014, J. Comput. Chem..

B,N‐Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations

Carlo Adamo, Frédéric Labat, Nino Russo, 2018, J. Comput. Chem..

Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method

Nino Russo, Emilia Sicilia, Tzonka Mineva, 1998, J. Comput. Chem..

Photophysical properties of heavy atom containing tetrasulfonyl phthalocyanines as possible photosensitizers in photodynamic therapy

Nino Russo, Bruna Clara De Simone, Marirosa Toscano, 2021, J. Comput. Chem..

Computational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1,2,3-Dithiazoles

Nino Russo, Tiziana Marino, Isabella Romeo, 2021, J. Chem. Inf. Model..

A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations

Nino Russo, Emilia Sicilia, Gloria Mazzone, 2021, J. Chem. Inf. Model..

A time-dependent density functional study of a non-aromatic [1.1.1.1.1]-pentaphyrin and its lutetium complex.

Nino Russo, Emilia Sicilia, Angelo Domenico Quartarolo, 2012, The journal of physical chemistry. B.

Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation

Nino Russo, Tiziana Marino, Gloria Mazzone, 2015 .

Iron chelation by the powerful antioxidant flavonoid quercetin.

Sandro Chiodo, Nino Russo, Monica Leopoldini, 2006, Journal of agricultural and food chemistry.

Transition state localization by a density functional method. Applications to isomerization and symmetry-forbidden reactions

Nino Russo, Marirosa Toscano, Y. Abashkin, 1995 .

Diffusion of gases in PEEKs membranes: molecular dynamics simulations

Enrico Drioli, Nino Russo, Elena Tocci, 2002 .

Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory.

Nino Russo, Tiziana Marino, N. Russo, 2013, Physical chemistry chemical physics : PCCP.

Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method

Nino Russo, Emilia Sicilia, Tzonka Mineva, 1998 .

MOLECULAR QUADRUPOLE MOMENTS, SECOND MOMENTS, AND DIAMAGNETIC SUSCEPTIBILITIES EVALUATED USING THE GENERALIZED GRADIENT APPROXIMATION IN THE FRAMEWORK OF GAUSSIAN DENSITY FUNCTIONAL METHOD

Nino Russo, Emilia Sicilia, Marirosa Toscano, 1996 .

Theoretical Determination of Electronic Spectra and Intersystem Spin-Orbit Coupling: The Case of Isoindole-BODIPY Dyes.

Nino Russo, Gloria Mazzone, N. Russo, 2014, Journal of chemical theory and computation.

Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations

Nino Russo, Tiziana Marino, Gloria Mazzone, 2016, Molecules.

Structure, Conformation, and Electronic Properties of Apigenin, Luteolin, and Taxifolin Antioxidants. A First Principle Theoretical Study

Nino Russo, Monica Leopoldini, Marirosa Toscano, 2004 .

RI-MP2 and MPWB1K Study of π-Anion-π' Complexes: MPWB1K Performance and Some Additivity Aspects.

Nino Russo, David Quiñonero, Antonio Frontera, 2011, Journal of chemical theory and computation.

On the binding mode of urease active site inhibitors: A density functional study

Nino Russo, Tiziana Marino, Monica Leopoldini, 2008 .

Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers

Nino Russo, Emilia Sicilia, Gloria Mazzone, 2013 .

Metal-ligand interactions in chemistry, physics and biology

Dennis R. Salahub, Nino Russo, D. Salahub, 2000 .

Pyranoanthocyanins: a theoretical investigation on their antioxidant activity.

Francesca Rondinelli, Nino Russo, Monica Leopoldini, 2010, Journal of agricultural and food chemistry.

Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3, and CH4 Molecules

Nino Russo, Emilia Sicilia, Bernard Silvi, 2003 .

The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study.

Michele Parrinello, Nino Russo, Emilia Sicilia, 2018, Angewandte Chemie.

Comparative Study of Electrostatic Solvent Response by RISM and PCM Methods

Gennady N. Chuev, Sandro Chiodo, Nino Russo, 2007 .

Gas and liquid phase acidity of natural antioxidants.

Nino Russo, Monica Leopoldini, Marirosa Toscano, 2006, Journal of agricultural and food chemistry.

Antioxidant Properties of Phenolic Compounds: H-Atom versus Electron Transfer Mechanism

Nino Russo, Tiziana Marino, Monica Leopoldini, 2004 .

Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent

Nino Russo, Tiziana Marino, Monica Leopoldini, 2004 .

Gaussian density-functional study for small neutral (Aln), positive (Aln+) and negative (Aln−) aluminium clusters (n=2–5)

Patrizia Calaminici, Nino Russo, Marirosa Toscano, 1995 .

A quasilinear RISM approach for the computation of solvation free energy of ionic species

Gennady N. Chuev, Sandro Chiodo, Nino Russo, 2006 .

First-principle time-dependent study of magnesium-containing porphyrin-like compounds potentially useful for their application in photodynamic therapy.

Nino Russo, Emilia Sicilia, N. Russo, 2008, The journal of physical chemistry. B.

CO Interaction with Small Rhodium Clusters from Density Functional Theory: Spectroscopic Properties and Bonding Analysis

Nino Russo, Hans-Joachim Freund, Tzonka Mineva, 2001 .

Aluminum clusters. A comparison between all electron and model core potential calculations

Patrizia Calaminici, Dennis R. Salahub, Nino Russo, 1994 .

Theoretical determination of electron affinity and ionization potential of DNA and RNA bases

Nino Russo, Marirosa Toscano, André Grand, 2000 .

Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory

Nino Russo, Marirosa Toscano, Franck Jolibois, 1998, J. Comput. Chem..