SICILIA, Emilia

SICILIA, Emilia  

Dipartimento di Chimica e Tecnologie Chimiche  

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Risultati 1 - 20 di 206 (tempo di esecuzione: 0.028 secondi).
Titolo Data di pubblicazione Autore(i) File
A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine 1-gen-2016 Mariagrazia, Fortino; Marino, Tiziana; Russo, Nino; Sicilia, Emilia
A DFT study of the NO adsorption on Pdn (n = 1–4) clusters 1-gen-2011 Lacaze Dufaure, C.; Roques, J.; Mijoule, C.; Sicilia, Emilia; Russo, Nino; Alexiev, V.; Mineva, T.
A promising marriage between theory and experiment : density functional method versus mass spectrometry 1-gen-1997 Marino, Tiziana; Russo, Nino; Sicilia, Emilia; Toscano, Marirosa
A quasilinear RISM approach for the computation of salvation free energy of ionic species 1-gen-2006 Chuev, G. N.; S., Chiodo; S. E., Erofeeva; M. V., Fedorov; N., Russo; Sicilia, Emilia
A Time-Dependent Density Functional Study of a Non-Aromatic [1.1.1.1.1]-Pentaphyrin and Its Lutetium Complex 1-gen-2012 Fortes Ramos Sousa, F.; Quartarolo, A.; Sicilia, Emilia; Russo, Nino
A Topological Analysis of the Reaction of Mn+ (7S,5S) with H2O, NH3 and CH4 Molecules 1-gen-2003 Michelini, . M. C.; Sicilia, Emilia; M. E., Alikhani; N., Russo; B., Sil
Ab-initio calculations on 1O2 quenching mechanism by trans-resveratrol 1-gen-2014 Mazzone, Gloria; Alberto, Marta E.; Russo, Nino; Sicilia, Emilia
The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation 1-gen-2017 Marino, Tiziana; Fortuna, Ponte; Mazzone, Gloria; Sicilia, Emilia; Toscano, Marirosa; Russo, Nino
About the Mulliken electronegativity in DFT 1-gen-2005 PUTZ M., V; Russo, Nino; Sicilia, Emilia
Absorption Spectra of the Potential Photodynamic Therapy Photosensitisers Texaphyrins Complexes: A Theoretical Analysis 1-gen-2007 Russo, N.; Sicilia, Emilia; Quartarolo, D.; Lelj, F.
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: a theoretical study 1-gen-2007 Sicilia, Emilia; Russo, Nino; Sicilia, E; Lelj, F.
Acetylene Cyclotrimerization by Early Second-Row Transition Metals in the Gas Phase. A Theoretical Study 1-gen-2005 M., Martinez; M. C., Michelini; I., Rivalta; Russo, Nino; Sicilia, Emilia
Activation by Glutathione in Hypoxic Environment of an Azo‐based Rhodamine Activatable Photosensitizer. A Computational Elucidation 1-gen-2022 Ponte, Fortuna; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia
Activation of methane by iron dimer cation. A Theoretical study 1-gen-2006 Chiodo, S; Rivalta, I; MICHELINI M., C; Russo, Nino; Sicilia, E; Ugalde, J.
Activation of methane by the iron dimer cation. A theoretical study 1-gen-2006 Sicilia, Emilia; Sandro, Chiodo; Ivan, Rivalta; MARIA C., Michelini; Nino, Russo; JESUS M., Ugalde
Adsorption of ethylene, Vinyl, Acetic Acid, and Acetate species on PdAu(111) and PdAu(100) surface alloys: a cluster model study 1-gen-2009 Rivalta, I; Mazzone, G; Russo, Nino; Sicilia, Emilia
Anionic Cyclometalated Pt(II) and Pt(IV) Complexes Respectively Bearing One or Two 1,2-Benzenedithiolate Ligands 1-gen-2018 Ionescu, A.; Godbert, N.; Aiello, I.; Ricciardi, L.; La Deda, M.; Crispini, A.; Sicilia, E.; Ghedini, M.
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N^C^N-Coordinated Pt(II) Complex 1-gen-2021 Scoditti, S.; Dabbish, E.; Russo, N.; Mazzone, G.; Sicilia, E.
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l -Ascorbic Acid 1-gen-2019 Dabbish, Eslam; Ponte, Fortuna; Russo, Nino; Sicilia, Emilia
Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys:Ab initio density functional calculations 1-gen-2009 GOTSIS H., J; Rivalta, I; Sicilia, Emilia; Russo, Nino