Sfoglia per Autore
The Combined Use of Deuterium NMR and Computer Simulations for Conformational Investigation of Flexible Molecules in Nematic Solutions
2005-01-01 Celebre, Giorgio; DE LUCA, G.; Mazzone, G.
Mechanistic aspects of the reaction of Th+ and Th2+ with water in gas-phase
2008-01-01 Mazzone, G.; Michelini, M. C.; Russo, N.; Sicilia, Emilia
Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study
2008-01-01 Mazzone, G; Rivalta, I; Russo, Nino; Sicilia, E.
The geometric effect in palladium–gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis?
2009-01-01 Mazzone, G.; Rivalta, I.; Russo, Nino; Sicilia, E.
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study
2009-01-01 Rivalta, I; Mazzone, G; Russo, Nino; Sicilia, Emilia
The mutual influence of non-covalent interactions in π-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine
2010-01-01 Alberto, M. E.; Mazzone, G.; Russo, Nino; Sicilia, Emilia
The influence of surface oxygen and hydroxyl group on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study
2010-01-01 Ivan, Rivalta; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia
Gold(I)-Catalyzed Hydration of 1,2- Phenylacetylene: Computational Insights
2010-01-01 Mazzone, Gloria; Russo, Nino; Sicilia, Emilia
Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis
2011-01-01 Mazzone, G.; Russo, Nino; Sicilia, Emilia
Homogeneous Gold Catalysis: Hydration of 1,2-Diphenylacetylenewith Methanol in Aqueous Media. A Theoretical Viewpoint
2012-01-01 Mazzone, G; Russo, Nino; Sicilia, Emilia
Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues
2013-01-01 Mazzone, G.; Malaj, N.; Russo, Nino; Toscano, Marirosa
Density Functional Predictions of Antioxidant Activity and UV Spectral Features of Nasutin A, Isonasutin, Ellagic Acid, and One of Its Possible Derivatives
2013-01-01 Mazzone, Gloria; Toscano, Marirosa; Russo, Nino
Theoretical investigation of the absorption spectra and singlet-triplet energy gap of positively charged tetraphenylporphyrins as potential photodynamic therapy photosensitizers
2013-01-01 Mazzone, G.; Russo, Nino; Sicilia, Emilia
Theoretical determination of electronic spectra and intersystem spin-orbit coupling: The case of isoindole-bodipy dyes
2014-01-01 Alberto, M. E.; De Simone, B. C.; Mazzone, G.; Quartarolo, A. D.; Russo, N.
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol
2014-01-01 Mazzone, Gloria; Alberto, Marta E.; Russo, Nino; Sicilia, Emilia
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines
2014-01-01 Alberto, Marta E.; Mazzone, Gloria; Quartarolo, Angelo D.; Flavio Fortes Ramos Sousa, ; Sicilia, Emilia; Russo, Nino
Theoretical mechanistic study of the formic acid decomposition assisted by a Ru(II)-phosphine catalyst
2014-01-01 Mazzone, Gloria; Alberto, Marta E.; Sicilia, Emilia
Understanding Zn(II) Chelation with Quercetin and Luteolin: a Combined NMR and Theoretical Study
2015-01-01 Alexandra, Primikyri; Mazzone, Gloria; Christina, Lekka; Andreas, Tzakos; Russo, Nino; Gerothanassis, Ioannis P.
Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation
2015-01-01 Alberto, M. E.; DE SIMONE, Bruna Clara; Mazzone, G; Marino, Tiziana; Russo, Nino
Catalytic Role of Dinuclear σ,π-Acetylide Gold(I) Complexes in the Hydroamination of Terminal Alkynes: Theoretical Insights
2015-01-01 Mazzone, G.; Russo, Nino; Sicilia, Emilia
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