| 1 |
Computational and Experimental Investigations of the Fe-2(mu-S-2)/Fe-2(mu-S)(2) Equilibrium
Arrigoni F, Zampella G, Zhang FJ, Kagalwala HN, Li QL, Woods TJ, Rauchfuss TB
Inorganic Chemistry, 60(6), 3917, 2021 |
| 2 |
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
Breglia R, Arrigoni F, Sensi M, Greco C, Fantucci P, De Gioia L, Bruschi M
Inorganic Chemistry, 60(1), 387, 2021 |
| 3 |
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
Arrigoni F, Breglia R, De Gioia L, Bruschi M, Fantucci P
Journal of Physical Chemistry A, 123(32), 6948, 2019 |
| 4 |
Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate
Li Q, Lalaoui N, Woods TJ, Rauchfuss TB, Arrigoni F, Zampella G
Inorganic Chemistry, 57(8), 4409, 2018 |
| 5 |
Mechanistic Insight into Electrocatalytic H-2 Production by [Fe-2(CN){mu-CN(Me)(2)}(mu-CO)(CO)(Cp)(2)]: Effects of Dithiolate Replacement in [FeFe] Hydrogenase Models
Arrigoni F, Bertini L, De Gioia L, Cingolani A, Mazzoni R, Zanotti V, Zampella G
Inorganic Chemistry, 56(22), 13852, 2017 |
| 6 |
Preparation and Protonation of Fe-2(pdt)(CNR)(6), Electron-Rich Analogues of Fe-2(pdt)(CO)(6)
Zhou XY, Barton BE, Chambers GM, Rauchfuss TB, Arrigoni F, Zampella G
Inorganic Chemistry, 55(7), 3401, 2016 |
| 7 |
DFT Dissection of the Reduction Step in H-2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer?
Filippi G, Arrigoni F, Bertini L, De Gioia L, Zampella G
Inorganic Chemistry, 54(19), 9529, 2015 |
| 8 |
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; a DFT investigation
Sicolo S, Bruschi M, Bertini L, Zampella G, Filippi G, Arrigoni F, De Gioia L, Greco C
International Journal of Hydrogen Energy, 39(32), 18565, 2014 |
