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Mostrati risultati da 41 a 60 di 66
Titolo Tipologia Data di pubblicazione Autori File
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 01 - Articolo su rivista 2019 Arrigoni, FBreglia, RDe Gioia, LBruschi, MFantucci, P
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 01 - Articolo su rivista 2019 Arrigoni, FedericaBertini, LucaBruschi, MaurizioGreco, ClaudioDe Gioia, LucaZampella, Giuseppe
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 01 - Articolo su rivista 2018 Arrigoni, FedericaDe Gioia, LucaZampella, GiuseppeBertini, Luca +
Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate 01 - Articolo su rivista 2018 Arrigoni, FedericaZampella, Giuseppe +
Electrochemical and Theoretical Investigations of the Oxidatively Induced Reactivity of the Complex [Fe2(CO)4(κ2-dmpe)(μ-adtBn)] Related to the Active Site of [FeFe] Hydrogenases 01 - Articolo su rivista 2018 Arrigoni, FedericaDe Gioia, LucaZampella, Giuseppe +
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 02 - Intervento a convegno 2018 Arrigoni, FBertini, LDe Gioia, LZampella, G
Beyond the iron-dithiolate mimic paradigm: new insight into the mechanism of electrocatalytic H2 production with mu-carbyne diiron complexes. 02 - Intervento a convegno 2018 f arrigoni
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 01 - Articolo su rivista 2018 Bertini, LArrigoni, FVertemara, JFantucci, PBruschi, MZampella, GDe Gioia, L. +
Chemistry and renewable energy: DFT investigation on CO2 reduction and H2 oxidation/production catalyzed by transition metal biomimics. 07 - Tesi di dottorato Bicocca post 2009 2017 ARRIGONI, FEDERICA
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 02 - Intervento a convegno 2017 Arrigoni, FBertini, LDe Gioia, LZampella, G
DFT study of CO2 activation promoted by a class of thiolate-bridged di-iron complexes with a [Cp*Fe(μ-SR)2FeCp*] scaffold 02 - Intervento a convegno 2017 Arrigoni, F
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 01 - Articolo su rivista 2017 Arrigoni, FBertini, LDe Gioia, LZampella, G. +
Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases 01 - Articolo su rivista 2017 ARRIGONI, FEDERICADE GIOIA, LUCAZAMPELLA, GIUSEPPE +
Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls 01 - Articolo su rivista 2016 ARRIGONI, FEDERICAZAMPELLA, GIUSEPPE +
Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2 01 - Articolo su rivista 2016 ARRIGONI, FEDERICAZAMPELLA, GIUSEPPE +
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 01 - Articolo su rivista 2016 BRUSCHI, MAURIZIOBREGLIA, RAFFAELLAARRIGONI, FEDERICAFANTUCCI, PIERCARLODE GIOIA, LUCA
Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6 01 - Articolo su rivista 2016 ARRIGONI, FEDERICAZAMPELLA, GIUSEPPE +
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? 01 - Articolo su rivista 2015 FILIPPI, GIULIAARRIGONI, FEDERICABERTINI, LUCADE GIOIA, LUCAZAMPELLA, GIUSEPPE
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 02 - Intervento a convegno 2015 BERTINI, LUCAARRIGONI, FEDERICAFILIPPI, GIULIADE GIOIA, LUCAZAMPELLA, GIUSEPPE +
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis 02 - Intervento a convegno 2015 F. Arrigoni
Mostrati risultati da 41 a 60 di 66
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