Sfoglia per Autore
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
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases
2013 Arrigoni, F; Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Filippi, G; Greco, C; Zampella, G
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H
2013 Filippi, G; Arrigoni, F; Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Greco, C; Zampella, G
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases
2013 Bruschi, M; Greco, C; Bertini, L; Zampella, G; Fantucci, P; DE GIOIA, L
Contrasting Protonation Behavior of Diphosphido vs Dithiolato Diiron(I) Carbonyl Complexes
2013 Zampella, G; DE GIOIA, L; Zaffaroni, R; Rauchfuss, T; Fuller, A
Crystallographic Characterization of a Fully Rotated, Basic Diiron Dithiolate: Model for the H-red State?
2013 Wang, W; Rauchfuss, T; Moore, C; Rheingold, A; DE GIOIA, L; Zampella, G
Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution
2013 Bertini, L; Fantucci, P; DE GIOIA, L; Zampella, G
New fei-fei complex featuring a rotated conformation related to [2fe]h subsite of the [fe-fe] hydrogenase
2013 Munery, S; Capon, J; DE GIOIA, L; Elleouet, C; Greco, C; Pétillon, F; Schollhammer, P; Talarmin, J; Zampella, G
Electrochemical and Theoretical Studies of the Impact of the Chelating Ligand on the Reactivity of [Fe-2(CO)(4)(kappa(2)-LL)(mu-pdt)](+) Complexes with Different Substrates (LL = I-Me-CH2-I-Me, dppe; I-Me=1-Methylimidazol-2-ylidene)
2012 Chouffai, D; Zampella, G; Capon, J; DE GIOIA, L; Le Goff, A; Petillon, F; Schollhammer, P; Talarmin, J
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides
2012 Wang, W; Rauchfuss, T; Bertini, L; Zampella, G
Molecular insight into substrate recognition by human cytosolic sialidase NEU2
2012 Mozzi, A; Mazzacuva, P; Zampella, G; Forcella, M; Fusi, P; Monti, E
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation
2012 Bertini, L; Bruschi, M; Romaniello, M; Zampella, G; Tiberti, M; Barbieri, V; Greco, C; La Mendola, D; Bonomo, R; Fantucci, P; DE GIOIA, L
Terminal vs Bridging Hydrides of Diiron Dithiolates: Prototonation of Fe2(dithiolate) (CO)2(PMe3)4
2012 Zaffaroni, R; Rauchfuss, T; Gray, D; DE GIOIA, L; Zampella, G
The Importance of Stereochemically Active Lone Pairs For Influencing PbII and AsIII Protein Binding
2012 Zampella, G; Neupane, K; DE GIOIA, L; Pecoraro, V
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex
2012 Bruschi, M; Bertini, L; Bonačić Koutecký, V; DE GIOIA, L; Mitrić, R; Zampella, G; Fantucci, P
Evidence for the Formation of a Mo-H Intermediate in the Catalytic Cycle of Formate Dehydrogenase
2012 Tiberti, M; Papaleo, E; Russo, N; DE GIOIA, L; Zampella, G
The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations
2012 Long, L; Xiao, Z; Zampella, G; Wei, Z; DE GIOIA, L; Liu, X
Electrochemical and Theoretical Investigations of the Role of the Appended Base on the Reduction of Protons by [Fe-2(CO)(4)(kappa(2)-PNPR)(mu-S(CH2)(3)S] (PNPR={Ph2PCH2}(2)NR, R=Me, Ph)
2012 Lounissi, S; Zampella, G; Capon, J; DE GIOIA, L; Matoussi, F; Mahfoudhi, S; Petillon, F; Schollhammer, P; Talarmin, J
Oxidatively Induced Reactivity of [Fe-2(CO)(4)(kappa(2)-dppe)(mu-pdt)]: an Electrochemical and Theoretical Study of the Structure Change and Ligand Binding Processes
2011 Chouffai, D; Zampella, G; Capon, J; DE GIOIA, L; Gloaguen, F; Petillon, F; Schollhammer, P; Talarmin, J
Stereochemistry of electrophilic attack at 34e(-) dimetallic complexes: the case of diiron dithiolato carbonyls plus MeS+
2011 Olsen, M; Gray, D; Rauchfuss, T; DE GIOIA, L; Zampella, G
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