Maurizio Bruschi

5PUBLICATIONS
15CO-AUTHORS
Reaction engineering (excl. nuclear reactions)Chemical thermodynamics and energeticsCatalysis and mechanisms of reactionsMain group metal chemistry
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Publications (5)

|Dec 15, 2020
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

|Jul 19, 2019
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.

Federica Arrigoni, Raffaella Breglia, Luca De Gioia

|Dec 22, 2018
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations.

Raffaella Breglia, Claudio Greco, Piercarlo Fantucci

|Dec 19, 2018
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization.

Solène Bouchard, Maurizio Bruschi, Luca De Gioia

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Frequent Collaborators

2 joint publications

Claudio Greco

1 joint publications

Roberta Aina

1 joint publications

Pawel Dubiela

1 joint publications

Sabine Geiselhart