Raffaella Breglia

Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations

Luca Bertini, Raffaella Breglia, Matteo Lambrughi et al. · Inorganic Chemistry · 2017 · 104 citations · Full text

First-principles Calculations, Engineering, Bioenergy +18

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

Raffaella Breglia, Federica Arrigoni, Matteo Sensi et al. · Inorganic Chemistry · 2020 · 27 citations · Full text

The large subunit of the regulatory [NiFe]-hydrogenase from<i>Ralstonia eutropha</i>– a minimal hydrogenase?

Giorgio Caserta, Christian Lorent, Alexandre Ciaccafava et al. · Chemical Science · 2020 · 26 citations · Full text

Catalytic H₂ evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions

Federica Arrigoni, Luca Bertini, Raffaella Breglia et al. · New Journal of Chemistry · 2020 · 19 citations

Engineering, Energy Conversion, Related Issues +16

Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems

Maurizio Bruschi, Raffaella Breglia, Federica Arrigoni et al. · International Journal of Quantum Chemistry · 2016 · 18 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Bioelectrochemistry +22