| DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than … G Filippi, F Arrigoni, L Bertini, L De Gioia, G Zampella Inorganic Chemistry 54 (19), 9529-9542, 2015 | 51 | 2015 |
| 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 F Arrigoni, L Bertini, L De Gioia, A Cingolani, R Mazzoni, V Zanotti, ... Inorganic Chemistry 56 (22), 13852-13864, 2017 | 37 | 2017 |
| Copper reduction and dioxygen activation in Cu–amyloid beta peptide complexes: insight from molecular modelling F Arrigoni, T Prosdocimi, L Mollica, L De Gioia, G Zampella, L Bertini Metallomics 10 (11), 1618-1630, 2018 | 34 | 2018 |
| Proton Shuttle Mediated by (SCH2)2P═O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies LR Almazahreh, F Arrigoni, H Abul-Futouh, M El-Khateeb, H Görls, ... ACS Catalysis 11 (12), 7080-7098, 2021 | 27 | 2021 |
| Electron-Rich, Diiron Bis (monothiolato) Carbonyls: C–S Bond Homolysis in a Mixed Valence Diiron Dithiolate Q Li, N Lalaoui, TJ Woods, TB Rauchfuss, F Arrigoni, G Zampella Inorganic chemistry 57 (8), 4409-4418, 2018 | 24 | 2018 |
| Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6 X Zhou, BE Barton, GM Chambers, TB Rauchfuss, F Arrigoni, G Zampella Inorganic chemistry 55 (7), 3401-3412, 2016 | 21 | 2016 |
| H2 Activation in [FeFe]‐Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an … F Arrigoni, L Bertini, M Bruschi, C Greco, L De Gioia, G Zampella Chemistry–A European Journal 25 (5), 1227-1241, 2019 | 20 | 2019 |
| Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems M Bruschi, R Breglia, F Arrigoni, P Fantucci, L De Gioia International Journal of Quantum Chemistry 116 (22), 1695-1705, 2016 | 20 | 2016 |
| First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to … R Breglia, F Arrigoni, M Sensi, C Greco, P Fantucci, L De Gioia, M Bruschi Inorganic Chemistry 60 (1), 387-402, 2020 | 19 | 2020 |
| Catalytic H 2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions F Arrigoni, L Bertini, R Breglia, C Greco, L De Gioia, G Zampella New Journal of Chemistry 44 (41), 17596-17615, 2020 | 18 | 2020 |
| Adaptation of the endemic coronaviruses HCoV-OC43 and HCoV-229E to the human host D Forni, R Cagliani, F Arrigoni, M Benvenuti, A Mozzi, U Pozzoli, M Clerici, ... Virus Evolution 7 (2), veab061, 2021 | 17 | 2021 |
| Synthetic designs and structural investigations of biomimetic Ni–Fe thiolates D Basu, TS Bailey, N Lalaoui, CP Richers, TJ Woods, TB Rauchfuss, ... Inorganic chemistry 58 (4), 2430-2443, 2019 | 17 | 2019 |
| 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 … F Arrigoni, S Mohamed Bouh, C Elleouet, FY Pétillon, P Schollhammer, ... Chemistry–A European Journal 24 (56), 15036-15051, 2018 | 17 | 2018 |
| Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; a DFT investigation S Sicolo, M Bruschi, L Bertini, G Zampella, G Filippi, F Arrigoni, L De Gioia, ... International journal of hydrogen energy 39 (32), 18565-18573, 2014 | 17 | 2014 |
| Influence of the dithiolate bridge on the oxidative processes of diiron models related to the active site of [FeFe] hydrogenases F Arrigoni, S Mohamed Bouh, L De Gioia, C Elleouet, FY Pétillon, ... Chemistry–A European Journal 23 (18), 4364-4372, 2017 | 16 | 2017 |
| Mechanism of hydrogen sulfide-dependent inhibition of FeFe hydrogenase C Felbek, F Arrigoni, D de Sancho, A Jacq-Bailly, RB Best, V Fourmond, ... ACS Catalysis 11 (24), 15162-15176, 2021 | 15 | 2021 |
| Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2 GM Chambers, TB Rauchfuss, F Arrigoni, G Zampella Organometallics 35 (5), 836-846, 2016 | 15 | 2016 |
| Rational Design of Fe2(μ‐PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion F Arrigoni, F Rizza, J Vertemara, R Breglia, C Greco, L Bertini, G Zampella, ... ChemPhysChem 21 (20), 2279-2292, 2020 | 13 | 2020 |
| Imine-centered reactions in imino-phosphine complexes of iron carbonyls WY Chu, CP Richers, ER Kahle, TB Rauchfuss, F Arrigoni, G Zampella Organometallics 35 (17), 2782-2792, 2016 | 13 | 2016 |
| Dating the emergence of human endemic coronaviruses D Forni, R Cagliani, U Pozzoli, A Mozzi, F Arrigoni, L De Gioia, M Clerici, ... Viruses 14 (5), 1095, 2022 | 10 | 2022 |
