BREGLIA RAFFAELLA

Ruolo: 
Assegnista di ricerca
Settore scientifico disciplinare: 
CHIMICA GENERALE E INORGANICA (CHIM/03)

Pubblicazioni

  • Breglia, R., Arrigoni, F., Sensi, M., Greco, C., Fantucci, P., De Gioia, L., et al. (2021). 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. INORGANIC CHEMISTRY, 60(1), 387-402. Dettaglio
  • Arrigoni, F., Rizza, F., Vertemara, J., Breglia, R., Greco, C., Bertini, L., et al. (2020). Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion. CHEMPHYSCHEM, 21(20), 2279-2292. Dettaglio
  • Caserta, G., Lorent, C., Ciaccafava, A., Keck, M., Breglia, R., Greco, C., et al. (2020). The large subunit of the regulatory [NiFe]-hydrogenase from Ralstonia eutropha – A minimal hydrogenase?. CHEMICAL SCIENCE, 11(21), 5453-5465. Dettaglio
  • Arrigoni, F., Bertini, L., Breglia, R., Greco, C., De Gioia, L., & Zampella, G. (2020). Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions. NEW JOURNAL OF CHEMISTRY, 44(41), 17596-17615 [10.1039/D0NJ03393F]. Dettaglio
  • Breglia, R., Greco, C., Fantucci, P., De Gioia, L., & Bruschi, M. (2019). Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations. INORGANIC CHEMISTRY, 58(1), 279-293 [10.1021/acs.inorgchem.8b02348]. Dettaglio