Sfoglia per Autore
Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases
2016 Sensi, M; Baffert, C; Greco, C; Caserta, G; Gauquelin, C; Saujet, L; Fontecave, M; Roy, S; Artero, V; Soucaille, P; Meynial Salles, I; Bottin, H; DE GIOIA, L; Fourmond, V; Léger, C; Bertini, L
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts
2016 Butera, V; Russo, N; Cosentino, U; Greco, C; Moro, G; Pitea, D; Sicilia, E
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism
2015 Breglia, R; Greco, C; DE GIOIA, L; Bruschi, M
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions
2015 Breglia, R; Greco, C; DE GIOIA, L; Bruschi, M
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective
2015 Greco, C; Ciancetta, A; Bruschi, M; Kulesza, A; Moro, G; Cosentino, U
MAGNETIC PROPERTIES AND REACTIVITY OF Mo/Cu-DEPENDENT CO DEHYDROGENASE IN ITS WILD-TYPE AND Ag-SUBSTITUTED FORM: A DFT INVESTIGATION
2014 Greco, C; Bruschi, M; Cosentino, U; DE GIOIA, L; Moro, G
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models
2014 Breglia, R; DE GIOIA, L; Greco, C; Bruschi, M
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca
2014 Cosentino, U; Bruschi, M; Greco, C; Zoia, L; DE GIOIA, L; Moro, G; La Grasta, C; Frasconà, C
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds
2014 Bertini, L; Bruschi, M; Cosentino, U; Greco, C; Moro, G; Zampella, G; DE GIOIA, L
A conserved loop in polynucleotide phosphorylase (PNPase) essential for both RNA and ADP/phosphate binding
2014 Carzaniga, T; Mazzantini, E; Nardini, M; Regonesi, M; Greco, C; Briani, F; DE GIOIA, L; Deho, G; Tortora, P
Covalent attachment of FeFe hydrogenases to graphite electrode and inhibition studies
2014 Baffert, C; Fourmond, V; Leger, C; Meynial Salles, I; Soucaille, P; Sybirna, K; Bottin, H; Greco, C; DE GIOIA, L
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes
2014 Greco, C; Fourmond, V; Baffert, C; Wang, P; Dementin, S; Bertrand, P; Bruschi, M; Blumberger, J; DE GIOIA, L; Léger, C
The oxidative inactivation of FeFe hydrogenase reveals the plasticity of the H-cluster
2014 Fourmond, V; Baffert, C; Ezanno, P; Leger, C; Greco, C; Bruschi, M; DE GIOIA, L; Sybirna, K; Bottin, H; Meynial Salles, I; Soucaille, P; Wang, P; Montefiori, M; Blumberger, J
TDDFT modelling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-Hydrogenase catalytic site
2014 Bertini, L; Greco, C; Fantucci, P; DE GIOIA, L
New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases
2014 Beaume, L; Clémancey, M; Blondin, G; Greco, C; Pétillon, F; Schollhammer, P; Talarmin, J
Investigations on the role of proton-coupled electron transfer in hydrogen activation by [FeFe]-hydrogenase
2014 Mulder, D; Ratzloff, M; Bruschi, M; Greco, C; Koonce, E; Peters, J; King, P
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation
2014 Sicolo, S; Bruschi, M; Bertini, L; Zampella, G; Filippi, G; Arrigoni, F; DE GIOIA, L; Greco, C
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster
2014 Fourmond, V; Greco, C; Sybirna, K; Baffert, C; Wang, P; Ezanno, P; Montefiori, M; Bruschi, M; Meynial Salles, I; Soucaille, P; Blumberger, J; Bottin, H; DE GIOIA, L; Léger, C
Redox Non-innocence of a N-Heterocyclic Nitrenium Cation Bound to a Nickel–Cyclam Core
2014 Heims, F; Pfaff, F; Abram, S; Farquhar, E; Bruschi, M; Greco, C; Ray, K
Computational investigation on the spectroscopic properties of thiophene based europium β-diketonate complexes
2014 Greco, C; Moro, G; Bertini, L; Biczysko, M; Barone, V; Cosentino, U
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