Sfoglia per Autore
Insights into Triazolylidene Ligands Behaviour at a Di-Iron Site Related to [FeFe]-Hydrogenases
2022 Mele, A; Arrigoni, F; Elleouet, C; Petillon, F; Schollhammer, P; Zampella, G
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds
2022 Arrigoni, F; Rizza, F; Bertini, L; De Gioia, L; Zampella, G
Adaptation of the endemic coronaviruses HCoV-OC43 and HCoV-229E to the human host
2021 Forni, D; Cagliani, R; Arrigoni, F; Benvenuti, M; Mozzi, A; Pozzoli, U; Clerici, M; de Gioia, L; Sironi, M
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase
2021 Felbek, C; Arrigoni, F; de Sancho, D; Jacq-Bailly, A; Best, R; Fourmond, V; Bertini, L; Leger, C
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies
2021 Almazahreh, L; Arrigoni, F; Abul-Futouh, H; El-Khateeb, M; Gorls, H; Elleouet, C; Schollhammer, P; Bertini, L; De Gioia, L; Rudolph, M; Zampella, G; Weigand, W
Computational and Experimental Investigations of the Fe2(μ-S2)/Fe2(μ-S)2Equilibrium
2021 Arrigoni, F; Zampella, G; Zhang, F; Kagalwala, H; Li, Q; Woods, T; Rauchfuss, T
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis
2021 Schollhammer, P; Elleouet, C; Petillon, F; Arrigoni, F; Greco, C; Hobballah, A; Laurans, M
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation
2021 Arrigoni, F; Zampella, G; De Gioia, L; Greco, C; Bertini, L
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster
2021 Breglia, R; Arrigoni, F; Sensi, M; Greco, C; Fantucci, P; De Gioia, L; Bruschi, M
CO substitution by PPh3in Fe2S2(CO)6proceeds via a novel Fe2S intermediate
2021 Zhang, F; Woods, T; Rauchfuss, T; Arrigoni, F; Zampella, G
Challenges in the Synthesis of Active Site Mimics for [NiFe]-Hydrogenases
2021 Basu, D; Gray, D; Woods, T; Rauchfuss, T; Arrigoni, F; Zampella, G
Synthesis, Molecular Modeling and Biological Evaluation of Metabolically Stable Analogues of the Endogenous Fatty Acid Amide Palmitoylethanolamide
2020 D'Aloia, A; Arrigoni, F; Tisi, R; Palmioli, A; Ceriani, M; Artusa, V; Airoldi, C; Zampella, G; Costa, B; Cipolla, L
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling
2020 Arrigoni, F; Rizza, F; Tisi, R; De Gioia, L; Zampella, G; Bertini, L
Insights into the two-electron reductive process of [FeFe]H2ase biomimetics. Cyclic voltammetry and DFT investigation on chelates control of redox properties of [Fe2(CO)4(κ2-chelate)(µ-dithiolate)]
2020 Schollhammer, P; Arrigoni, F; Elleouet, C; Mele, A; Pétillon, F; De Gioia, L; Zampella, G
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions
2020 Arrigoni, F; Bertini, L; Breglia, R; Greco, C; De Gioia, L; Zampella, G
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion
2020 Arrigoni, F; Rizza, F; Vertemara, J; Breglia, R; Greco, C; Bertini, L; Zampella, G; De Gioia, L
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation
2020 Arrigoni, F; Bertini, L; De Gioia, L; Zampella, G; Mazzoni, R; Cingolani, A; Gualandi, I; Tonelli, D; Zanotti, V
H2 oxidation and proton reduction in [FeFe]-hydrogenase biomimetics: looking backwards and forwards for new synthetic mimics. The DFT viewpoint
2019 Arrigoni, F
H2 oxidation and proton reduction in [FeFe]-hydrogenase biomimetics: looking backwards and forwards for new synthetic mimics. The DFT viewpoint
2019 Arrigoni, F
Redox potentials of small inorganic radicals and hexa-aquo complexes of first-row transition metals in water: a dft study based on the grand canonical ensemble
2019 Arrigoni, F; Breglia, R; De Gioia, L; Bruschi, M; Fantucci, P
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