Sfoglia per Autore
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
2017 Arrigoni, F; Bertini, L; De Gioia, L; Cingolani, A; Mazzoni, R; Zanotti, V; Zampella, G
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers
2017 Goy, R; Bertini, L; Rudolph, T; Lin, S; Schulz, M; Zampella, G; Dietzek, B; Schacher, F; DE GIOIA, L; Sakai, K; Weigand, W
Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6
2016 Zhou, X; Barton, B; Chambers, G; Rauchfuss, T; Arrigoni, F; Zampella, G
Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2
2016 Chambers, G; Rauchfuss, T; Arrigoni, F; Zampella, G
Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls
2016 Chu, W; Richers, C; Kahle, E; Rauchfuss, T; Arrigoni, F; Zampella, G
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation
2016 Prosdocimi, T; DE GIOIA, L; Zampella, G; Bertini, L
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture
2015 Bertini, L; Prosdocimi, T; Arrigoni, F; Filippi, G; DE GIOIA, L; Zampella, G
A diferrous dithiolate as a model of the elusive h ox inact state of the [FeFe] hydrogenases: An electrochemical and theoretical dissection of its redox chemistry.
2015 Chouffai, D; Capon, J; DE GIOIA, L; Pétillon, F; Schollhammer, P; Talarmin, J; Zampella, G
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model
2015 Goy, R; Bertini, L; Elleouet, C; Görls, H; Zampella, G; Talarmin, J; DE GIOIA, L; Schollhammer, P; Apfel, U; Weigand, W
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer?
2015 Filippi, G; Arrigoni, F; Bertini, L; DE GIOIA, L; Zampella, G
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures
2015 Goy, R; Bertini, L; Görls, H; DE GIOIA, L; Talarmin, J; Zampella, G; Schollhammer, P; Weigand, W
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture
2014 Arrigoni, F; Filippi, G; Bertini, L; De Gioia, L; Zampella, G
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds
2014 Bertini, L; Bruschi, M; Cosentino, U; Greco, C; Moro, G; Zampella, G; DE GIOIA, L
Reductive Behavior of [Fe2(CO)4(κ2-dmpe){μ-(SCH2)2NBn}]: Effect of Symmetrization on the Rotated Conformation in FeI-FeI Models of [2Fe]H Subsite of [Fe-Fe]H2ases
2014 DE GIOIA, L; Elleouet, C; Munery, S; Pétillon, F; Schollhammer, P; Talarmin, J; Zampella, G
Bromoperoxidase activity of amavadin dissected: a DFT investigation
2014 Zampella, G; DE GIOIA, L; Bertini, L
New Reactions of Terminal Hydrides on a Diiron Dithiolate
2014 Wang, W; Rauchfuss, T; Zhu, L; Zampella, G
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation
2014 Sicolo, S; Bruschi, M; Bertini, L; Zampella, G; Filippi, G; Arrigoni, F; DE GIOIA, L; Greco, C
In-silico Modeling of [FeFe]-hydrogenase chemistry
2013 Bruschi, M; Greco, C; Bertini, L; Zampella, G; Fantucci, P; DE GIOIA, L
Functional effects on the TDDFT investigations in organometallic photochemistry
2013 Bertini, L; Bruschi, M; Greco, C; DE GIOIA, L; Fantucci, P; Zampella, G
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture
2013 Bertini, L; Arrigoni, F; Bruschi, M; DE GIOIA, L; Fantucci, P; Filippi, G; Greco, C; Zampella, G
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile