Sfoglia per Autore
Enlightening the reaction mechanism of furimazine oxidation in DMSO
2024 Bonardi, A; Greco, C; Cosentino, U; Adamo, C
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations.
2024 Rizza, F; Rovaletti, A; Carbone, G; Miyake, T; Greco, C; Cosentino, U
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene
2024 Orlando, C; Rizzo, I; Arrigoni, F; Zampolli, J; Mangiagalli, M; Di Gennaro, P; Lotti, M; De Gioia, L; Marino, T; Greco, C; Bertini, L
Behind the glow: unveiling the nature of NanoLuc reactants and products
2024 Bonardi, A; Turelli, M; Moro, G; Greco, C; Cosentino, U; Adamo, C
CO oxidation mechanism of silver‐substituted Mo/Cu CO‐dehydrogenase. Analogies and differences to the native enzyme
2024 Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Greco, C
Computational study on light emission by NanoLuc luciferase
2023 Bonardi, A; Turelli, M; Greco, C; Cosentino, U; Adamo, C
Shedding light on bioluminescence: a computational study on light emission by NanoLuc luciferase
2023 Bonardi, A; Turelli, M; Cosentino, U; Greco, C; Adamo, C
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations
2023 Rizza, F; Rovaletti, A; Carbone, G; Miyake, T; Greco, C; Cosentino, U
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium
2023 Rovaletti, A; De Gioia, L; Greco, C; Arrigoni, F
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes
2023 Rovaletti, A; De Gioia, L; Fantucci, P; Greco, C; Vertemara, J; Zampella, G; Arrigoni, F; Bertini, L
Computational study on light emission by NLuc luciferase
2022 Bonardi, A; Colombo, M; Cosentino, U; Greco, C; Moro, G; Adamo, C
Partition of the Reactive Species of the Suzuki-Miyaura Reaction between Aqueous and Micellar Environments
2022 Ranaudo, A; Greco, C; Moro, G; Zucchi, A; Mattiello, S; Beverina, L; Cosentino, U
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations
2022 Ritacca, A; Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Sicilia, E; Greco, C
Evaluation of docking procedures reliability in affitins-partners interactions
2022 Ranaudo, A; Cosentino, U; Greco, C; Moro, G; Bonardi, A; Maiocchi, A; Moroni, E
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
2022 Rovaletti, A; Ryde, U; Moro, G; Cosentino, U; Greco, C
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems
2022 Vaghi, L; Rizzo, F; Pedrini, J; Mauri, A; Meinardi, F; Cosentino, U; Greco, C; Monguzzi, A; Papagni, A
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory
2022 Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Greco, C
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry
2022 Arrigoni, F; Rovaletti, A; Bertini, L; Breglia, R; De Gioia, L; Greco, C; Vertemara, J; Zampella, G; Fantucci, P
Calix[4]arene-Based Sensitizers for Host-Guest Supramolecular Dyads for Solar Energy Conversion in Photoelectrochemical Cells
2022 Decavoli, C; Boldrini, C; Faroldi, F; Baldini, L; Sansone, F; Ranaudo, A; Greco, C; Cosentino, U; Moro, G; Manfredi, N; Abbotto, A
Computational study on the structural stability of mutated Affitins
2021 Ranaudo, A; Bonardi, A; Cosentino, U; Greco, C; Moro, G; Moroni, E; Maiocchi, A
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