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Titolo Tipologia Data di pubblicazione Autori File
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. +
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers 01 - Articolo su rivista 2017 BERTINI, LUCAZAMPELLA, GIUSEPPEDE 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 +
Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2 01 - Articolo su rivista 2016 ARRIGONI, FEDERICAZAMPELLA, GIUSEPPE +
Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls 01 - Articolo su rivista 2016 ARRIGONI, FEDERICAZAMPELLA, GIUSEPPE +
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: A DFT investigation 01 - Articolo su rivista 2016 DE GIOIA, LUCAZAMPELLA, GIUSEPPEBERTINI, LUCA +
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 +
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. 01 - Articolo su rivista 2015 DE GIOIA, LUCAZAMPELLA, GIUSEPPE +
A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model 01 - Articolo su rivista 2015 BERTINI, LUCAZAMPELLA, GIUSEPPEDE GIOIA, LUCA +
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
Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures 01 - Articolo su rivista 2015 BERTINI, LUCADE GIOIA, LUCAZAMPELLA, GIUSEPPE +
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 02 - Intervento a convegno 2014 Arrigoni, FFilippi, GBertini, LDe Gioia, LZampella, G
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 03 - Contributo in libro 2014 BERTINI, LUCABRUSCHI, MAURIZIOCosentino, UGRECO, CLAUDIOMORO, GIORGIOZAMPELLA, GIUSEPPEDE GIOIA, LUCA
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 01 - Articolo su rivista 2014 DE GIOIA, LUCAZAMPELLA, GIUSEPPE +
Bromoperoxidase activity of amavadin dissected: a DFT investigation 01 - Articolo su rivista 2014 ZAMPELLA, GIUSEPPEDE GIOIA, LUCABERTINI, LUCA
New Reactions of Terminal Hydrides on a Diiron Dithiolate 01 - Articolo su rivista 2014 ZAMPELLA, GIUSEPPE +
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 01 - Articolo su rivista 2014 BRUSCHI, MAURIZIOBERTINI, LUCAZAMPELLA, GIUSEPPEFILIPPI, GIULIAArrigoni, FDE GIOIA, LUCAGRECO, CLAUDIO +
In-silico Modeling of [FeFe]-hydrogenase chemistry 02 - Intervento a convegno 2013 BRUSCHI, MAURIZIOGRECO, CLAUDIOBERTINI, LUCAZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLODE GIOIA, LUCA
Functional effects on the TDDFT investigations in organometallic photochemistry 02 - Intervento a convegno 2013 BERTINI, LUCABRUSCHI, MAURIZIOGRECO, CLAUDIODE GIOIA, LUCAZAMPELLA, GIUSEPPE +
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 02 - Intervento a convegno 2013 BERTINI, LUCAARRIGONI, FEDERICABRUSCHI, MAURIZIODE GIOIA, LUCAFILIPPI, GIULIAGRECO, CLAUDIOZAMPELLA, GIUSEPPE +
Mostrati risultati da 41 a 60 di 118
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