GRECO, CLAUDIO

GRECO, CLAUDIO  

DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)  

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Titolo Tipologia Data di pubblicazione Autori File
CO oxidation mechanism of silver‐substituted Mo/Cu CO‐dehydrogenase. Analogies and differences to the native enzyme 01 - Articolo su rivista 2024 Anna, RovalettiMoro, GiorgioUgo, CosentinoGreco, Claudio +
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium 01 - Articolo su rivista 2023 Rovaletti, AnnaDe Gioia, LucaGreco, ClaudioArrigoni, Federica
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 01 - Articolo su rivista 2023 Rovaletti, AnnaDe Gioia, LucaFantucci, PiercarloGreco, ClaudioVertemara, JacopoZampella, GiuseppeArrigoni, FedericaBertini, Luca
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations 01 - Articolo su rivista 2023 Rizza, FabioRovaletti, AnnaMiyake, ToshikoGreco, ClaudioCosentino, Ugo +
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems 01 - Articolo su rivista 2022 Vaghi, LucaPedrini, JacopoMeinardi, FrancescoCosentino, UgoGreco, ClaudioMonguzzi, AngeloPapagni, Antonio +
Calix[4]arene-Based Sensitizers for Host-Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells 01 - Articolo su rivista 2022 Decavoli, CBoldrini, CLRanaudo, AGreco, CCosentino, UMoro, GManfredi, NAbbotto, A +
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory 01 - Articolo su rivista 2022 Rovaletti, AnnaMoro, GiorgioCosentino, UgoGreco, Claudio +
Evaluation of docking procedures reliability in affitins-partners interactions 01 - Articolo su rivista 2022 Ranaudo, ACosentino, UGreco, CMoro, GBonardi A +
How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H2-evolving Mo oxides/sulphides as case studies 01 - Articolo su rivista 2022 Anna RovalettiGiorgio MoroUgo CosentinoClaudio Greco +
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 01 - Articolo su rivista 2022 Arrigoni F.Rovaletti A.Bertini L.Breglia R.De Gioia L.Greco C.Vertemara J.Zampella G.Fantucci P.
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments 01 - Articolo su rivista 2022 Ranaudo, AnnaGreco, ClaudioMoro, GiorgioZucchi, AnitaMattiello, SaraBeverina, LucaCosentino, Ugo
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations 01 - Articolo su rivista 2022 Rovaletti, AnnaMoro, GiorgioCosentino, UgoGreco, Claudio +
Computational study on the structural stability of mutated Affitins 02 - Intervento a convegno 2021 Ranaudo, ABonardi, ACosentino, UGreco, CMoro, G +
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster 01 - Articolo su rivista 2021 Breglia, RaffaellaArrigoni, FedericaSensi, MatteoGreco, ClaudioFantucci, PiercarloDe Gioia, LucaBruschi, Maurizio
QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters 01 - Articolo su rivista 2021 Rovaletti, AnnaGreco, Claudio +
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 01 - Articolo su rivista 2021 Arrigoni, FedericaZampella, GiuseppeDe Gioia, LucaGreco, ClaudioBertini, Luca
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis 01 - Articolo su rivista 2021 Arrigoni, FedericaGreco, Claudio +
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 01 - Articolo su rivista 2020 Arrigoni, FedericaBertini, LucaBreglia, RaffaellaGreco, ClaudioDe Gioia, LucaZampella, Giuseppe
Dynamical behavior and conformational selection mechanism of the intrinsically disordered sic1 kinase-inhibitor domain 01 - Articolo su rivista 2020 Cosentino, UgoRanaudo, AnnaGreco, ClaudioMoro, Giorgio +
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 01 - Articolo su rivista 2020 Arrigoni F.Rizza F.Vertemara J.Breglia R.Greco C.Bertini L.Zampella G.De Gioia L.