Sfoglia per Autore
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
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4
2014 DELLA PERGOLA, R; Bruschi, M; Sironi, A; Colombo, V; Sironi, A
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
In-silico Modeling of [FeFe]-hydrogenase chemistry
2013 Bruschi, M; Greco, C; Bertini, L; Zampella, G; Fantucci, P; DE GIOIA, L
Functional effects on the TDDFT investigations in organometallic photochemistry
2013 Bertini, L; Bruschi, M; Greco, C; DE GIOIA, L; Fantucci, P; Zampella, G
Approcci di modellistica molecolare allo studio di aerosol atmosferico
2013 Cosentino, U; Greco, C; Bruschi, M; Moro, G
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture
2013 Bertini, L; Arrigoni, F; Bruschi, M; DE GIOIA, L; Fantucci, P; Filippi, G; Greco, C; Zampella, G
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases
2013 Arrigoni, F; Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Filippi, G; Greco, C; Zampella, G
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H
2013 Filippi, G; Arrigoni, F; Bertini, L; Bruschi, M; DE GIOIA, L; Fantucci, P; Greco, C; Zampella, G
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase
2013 Greco, C; Ciancetta, A; Bruschi, M; Kulesza, A; Moro, G; Cosentino, U
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory
2013 Miyake, T; Bruschi, M; Cosentino, U; Baffert, C; Fourmond, V; Léger, C; Moro, G; DE GIOIA, L; Greco, C
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases
2013 Bruschi, M; Greco, C; Bertini, L; Zampella, G; Fantucci, P; DE GIOIA, L
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective
2013 Greco, C; Bruschi, M; Bertini, L; DE GIOIA, L
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase
2013 Greco, C; Ciancetta, A; Bruschi, M; Moro, G; Cosentino, U
Metodi computazionali per il calcolo di parametri Mössbauer
2013 Bruschi, M
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study
2013 Aina, R; Bruschi, M; Ghiani, A; Prezzati, G; Asero, R; Citterio, S
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
2013 Wang, P; Bruschi, M; DE GIOIA, L; Blumberger, J
Speciation of metal-peptides complexes in water solution using a newly developed MD-DFTB approach
2012 Bruschi, M
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines
2012 Saliu, F; Orlandi, M; Bruschi, M
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation
2012 Bertini, L; Bruschi, M; Romaniello, M; Zampella, G; Tiberti, M; Barbieri, V; Greco, C; La Mendola, D; Bonomo, R; Fantucci, P; DE GIOIA, L
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