Sfoglia per Autore
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies
2021 Almazahreh, L; Arrigoni, F; Abul-Futouh, H; El-Khateeb, M; Gorls, H; Elleouet, C; Schollhammer, P; Bertini, L; De Gioia, L; Rudolph, M; Zampella, G; Weigand, W
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation
2021 Arrigoni, F; Zampella, G; De Gioia, L; Greco, C; Bertini, L
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions
2020 Arrigoni, F; Bertini, L; Breglia, R; Greco, C; De Gioia, L; Zampella, G
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion
2020 Arrigoni, F; Rizza, F; Vertemara, J; Breglia, R; Greco, C; Bertini, L; Zampella, G; De Gioia, L
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling
2020 Arrigoni, F; Rizza, F; Tisi, R; De Gioia, L; Zampella, G; Bertini, L
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation
2020 Arrigoni, F; Bertini, L; De Gioia, L; Zampella, G; Mazzoni, R; Cingolani, A; Gualandi, I; Tonelli, D; Zanotti, V
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry
2019 Arrigoni, F; Bertini, L; Bruschi, M; Greco, C; De Gioia, L; Zampella, G
Anomalous Intrinsic Fluorescence of HCl and NaOH Aqueous Solutions
2019 Villa, A; Doglia, S; De Gioia, L; Bertini, L; Natalello, A
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites
2018 Arrigoni, F; Bertini, L; De Gioia, L; Zampella, G
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation
2018 Bertini, L; Alberto, M; Arrigoni, F; Vertemara, J; Fantucci, P; Bruschi, M; Zampella, G; De Gioia, L
Interaction of the H-cluster of FeFe hydrogenase with halides
2018 del Barrio, M; Sensi, M; Fradale, L; Bruschi, M; Greco, C; de Gioia, L; Bertini, L; Fourmond, V; Léger, C
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations
2018 Bertini, L; Breglia, R; Lambrughi, M; Fantucci, P; De Gioia, L; Borsari, M; Sola, M; Bortolotti, C; Bruschi, M
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling
2018 Arrigoni, F; Prosdocimi, T; Mollica, L; De Gioia, L; Zampella, G; Bertini, L
Towards hydrophobic carminic acid derivatives and their incorporation in polyacrylates
2018 Gabrielli, L; Origgi, D; Zampella, G; Bertini, L; Bonetti, S; Vaccaro, G; Meinardi, F; Simonutti, R; Cipolla, L
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis.
2017 Arrigoni, F; Bertini, L; De Gioia, L; Zampella, G
Photoinhibition of FeFe hydrogenase
2017 Sensi, M; Baffert, C; Fradale, L; Gauquelin, C; Soucaille, P; Meynial Salles, I; Bottin, H; De Gioia, L; Bruschi, M; Fourmond, V; Léger, C; Bertini, L
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
Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents
2017 Pirillo, J; Mazzone, G; Russo, N; Bertini, L
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
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
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