Sfoglia per Autore
Exome Sequencing in an ADSHE Family: VUS Identification and Limits
2022 Villa, C; Arrigoni, F; Rivellini, E; Lavitrano, M; De Gioia, L; Ferini-Strambi, L; Combi, R
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry
2022 Arrigoni, F; Rovaletti, A; Bertini, L; Breglia, R; De Gioia, L; Greco, C; Vertemara, J; Zampella, G; Fantucci, P
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
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
The Multi-Level Mechanism of Action of a Pan-Ras Inhibitor Explains its Antiproliferative Activity on Cetuximab-Resistant Cancer Cells
2021 Tisi, R; Spinelli, M; Palmioli, A; Airoldi, C; Cazzaniga, P; Besozzi, D; Nobile, M; Mazzoleni, E; Arnhold, S; De Gioia, L; Grandori, R; Peri, F; Vanoni, M; Sacco, E
Photochemistry and photoinhibition of the H-cluster of FeFe hydrogenases
2021 Sensi, M; Baffert, C; Fourmond, V; De Gioia, L; 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
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
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
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
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
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
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
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions
2019 Villa, A; Doglia, S; De Gioia, L; Bertini, L; Natalello, A
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
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization
2019 Bouchard, S; Bruschi, M; De Gioia, L; Le Roy, C; Petillon, F; Schollhammer, P; Talarmin, J
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry
2019 Arrigoni, F; Bertini, L; Bruschi, M; Greco, C; De Gioia, L; Zampella, G
Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster (Nature Chemistry, (2014), 6, 4, (336-342), 10.1038/nchem.1892)
2019 Fourmond, V; Greco, C; Sybirna, K; Baffert, C; Wang, P; Ezanno, P; Montefiori, M; Bruschi, M; Meynial-Salles, I; Soucaille, P; Blumberger, J; Bottin, H; De Gioia, L; Leger, C
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations
2019 Breglia, R; Greco, C; Fantucci, P; De Gioia, L; Bruschi, M
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling
2018 Arrigoni, F; Prosdocimi, T; Mollica, L; De Gioia, L; Zampella, G; Bertini, L
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