ARRIGONI, FEDERICA
ARRIGONI, FEDERICA
DIPARTIMENTO DI BIOTECNOLOGIE E BIOSCIENZE
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture
2013 Bertini, L; Arrigoni, F; Bruschi, M; DE GIOIA, L; Fantucci, P; Filippi, G; Greco, C; Zampella, G
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H
2013 Filippi, G; Arrigoni, F; Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Greco, C; Zampella, G
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases
2013 Arrigoni, F; Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Filippi, G; Greco, C; Zampella, G
DFT investigation of binding and redox properties of the Hox redox state of [FeFe]-hydrogenases
2013 Arrigoni, F
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation
2014 Sicolo, S; Bruschi, M; Bertini, L; Zampella, G; Filippi, G; Arrigoni, F; DE GIOIA, L; Greco, C
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture
2014 Arrigoni, F; Filippi, G; Bertini, L; De Gioia, L; Zampella, G
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis
2015 Arrigoni, F
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture
2015 Bertini, L; Prosdocimi, T; Arrigoni, F; Filippi, G; DE GIOIA, L; Zampella, G
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer?
2015 Filippi, G; Arrigoni, F; Bertini, L; DE GIOIA, L; Zampella, G
Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls
2016 Chu, W; Richers, C; Kahle, E; Rauchfuss, T; Arrigoni, F; Zampella, G
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems
2016 Bruschi, M; Breglia, R; Arrigoni, F; Fantucci, P; DE GIOIA, L
Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6
2016 Zhou, X; Barton, B; Chambers, G; Rauchfuss, T; Arrigoni, F; Zampella, G
Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2
2016 Chambers, G; Rauchfuss, T; Arrigoni, F; Zampella, G
DFT study of CO2 activation promoted by a class of thiolate-bridged di-iron complexes with a [Cp*Fe(μ-SR)2FeCp*] scaffold
2017 Arrigoni, F
Chemistry and renewable energy: DFT investigation on CO2 reduction and H2 oxidation/production catalyzed by transition metal biomimics.
2017 Arrigoni, F
Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases
2017 Arrigoni, F; Mohamed Bouh, S; DE GIOIA, L; Elleouet, C; Pétillon, F; Schollhammer, P; Zampella, G
Mechanistic Insight into Electrocatalytic H2 Production by [Fe2(CN)μ-CN(Me)2(μ-CO)(CO)(Cp)2]: Effects of Dithiolate Replacement in [FeFe] Hydrogenase Models
2017 Arrigoni, F; Bertini, L; De Gioia, L; Cingolani, A; Mazzoni, R; Zanotti, V; Zampella, G
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis.
2017 Arrigoni, F; Bertini, L; De Gioia, L; Zampella, G
Electrochemical and Theoretical Investigations of the Oxidatively Induced Reactivity of the Complex [Fe2(CO)4(κ2-dmpe)(μ-adtBn)] Related to the Active Site of [FeFe] Hydrogenases
2018 Arrigoni, F; Mohamed Bouh, S; Elleouet, C; Pétillon, F; Schollhammer, P; De Gioia, L; Zampella, G
Beyond the iron-dithiolate mimic paradigm: new insight into the mechanism of electrocatalytic H2 production with mu-carbyne diiron complexes.
2018 Arrigoni, F