검색결과 : 19건
| No. | Article |
|---|---|
| 1 |
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations Bertini L, Breglia R, Lambrughi M, Fantucci P, De Gioia L, Borsari M, Sola M, Bortolotti CA, Bruschi M Inorganic Chemistry, 57(1), 86, 2018 |
| 2 |
Interaction of the H-Cluster of FeFe Hydrogenase with Halides del Barrio M, Sensi M, Fradale L, Bruschi M, Greco C, de Gioia L, Bertini L, Fourmond V, Leger C Journal of the American Chemical Society, 140(16), 5485, 2018 |
| 3 |
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 |
| 4 |
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases Sensi M, Baffert C, Greco C, Caserta G, Gauquelin C, Saujet L, Fontecave M, Roy S, Artero V, Soucaille P, Meynial-Salles I, Bottin H, de Gioia L, Fourmond V, Leger C, Bertini L Journal of the American Chemical Society, 138(41), 13612, 2016 |
| 5 |
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 |
| 6 |
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 |
| 7 |
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H-2 Evolution Bertini L, Fantucci P, De Gioia L, Zampella G Inorganic Chemistry, 52(17), 9826, 2013 |
| 8 |
Speciation of Copper-Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex Bruschi M, Bertini L, Bonacic-Koutecky V, De Gioia L, Mitric R, Zampella G, Fantucci P Journal of Physical Chemistry B, 116(22), 6250, 2012 |
| 9 |
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides Wang WG, Rauchfuss TB, Bertini L, Zampella G Journal of the American Chemical Society, 134(10), 4525, 2012 |
| 10 |
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study Baffert C, Bertini L, Lautier T, Greco C, Sybirna K, Ezanno P, Etienne E, Soucaille P, Bertrand P, Bottin H, Meynial-Salles I, De Gioia L, Leger C Journal of the American Chemical Society, 133(7), 2096, 2011 |