Sfoglia per Autore
Reactivity of transition metal allenylidene complexes with nucleophiles: a density functional study
2006-01-01 Re, Nazzareno; Marrone, Alessandro; Coletti, Cecilia
``DFT study of carboplatin hydrolysis in neutral and acidic media"
2006-01-01 N., Re; Marrone, Alessandro; Coletti, Cecilia; N., Besker
A density functional study of ruthenium(II) and ruthenium(III) interaction with nucleobases
2006-01-01 Re, Nazzareno; N., Besker; Coletti, Cecilia; Marrone, Alessandro
A theoretical investigation of the hydrolysis and reduction of NAMI(A)-type ruthenium complexes
2006-01-01 Re, Nazzareno; N., Besker; Coletti, Cecilia; Marrone, Alessandro
Non-radical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: A density functional study
2006-01-01 Coletti, Cecilia; Marrone, Alessandro; Giorgi, G; Sgamellotti, A; Cerofolini, G; Re, Nazzareno
Atom-bond pairwise additive representation for cation-benzene potential energy surfaces: an ab initio validation study
2006-01-01 Alberti, M; Aguilar, A; Lucas, J. M.; Pirani, F; Cappelletti, D; Coletti, Cecilia; Re, Nazzareno
Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reaction
2006-01-01 Bellocchi, D; Costantino, G; Pellicciari, R; Re, Nazzareno; Marrone, Alessandro; Coletti, Cecilia
Theoretical study of alkali cation-benzene complexes: Potential energy surfaces and binding energies with improved results for rubidium and cesium
2006-01-01 Coletti, Cecilia; Re, Nazzareno
``A DFT study of carboplatin aquation and its binding to DNA"
2007-01-01 Marrone, Alessandro; Coletti, Cecilia; N., Besker; N., Re
``A density functional study of antitumor active platinum complexes in trans geometry with a planar ligand"
2007-01-01 N., Re; Coletti, Cecilia; Marrone, Alessandro
Modeling of the GST inhibition: inclusion of protein flexibility by cross-docking
2007-01-01 F., Lannutti; Coletti, Cecilia; N., Besker; Marrone, Alessandro; Re, Nazzareno
``Antitumor active platinum complexes in trans geometry with a planar ligand: a theoretical study"
2007-01-01 Marrone, Alessandro; Coletti, Cecilia; N., Re
Binding of antitumor ruthenium complexes to DNA and proteins: A theoretical approach
2007-01-01 Besker, N; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno
Stereoselectivity by Enantiomeric Inhibitors of Matrix Metalloproteinase-8: New Insights from Molecular Dynamics Simulations
2007-01-01 M., Aschi; N., Besker; Re, Nazzareno; G., Pochetti; Coletti, Cecilia; Gallina, Carlo; F., Mazza
A DFT study on the electronic structure of Rhenium allenylidenes and their reactivity towards phosphines
2008-01-01 Coletti, Cecilia; A., Guerriero; L., Gonsalvi; L., Marvelli; Re, Nazzareno; M., Peruzzini
NMR and DFT Studies on the Nucleophilic Addition of Phosphines to Cg-Activated Rhenium Allenylidenes
2008-01-01 A., Guerriero; Coletti, Cecilia; L., Gonsalvi; L., Marvelli; Re, Nazzareno; G., Reginato; M., Peruzzini
Insight into the mechanism of aquation of the Ruthenium based anticancer drug NAMI-A: a Density Functional study
2008-01-01 N., Besker; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno
Adsorption and Interfacial Chemistry of Pentacene on the Clean Si(100) Surface: A Density Functional Study
2008-01-01 Nunzi, Francesca; Sgamellotti, Antonio; Coletti, Cecilia; Re, Nazzareno
Aquation of the Ruthenium-Based Anticancer Drug NAMI-A: A Density Functional Study
2008-01-01 Besker, N; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno
Synthesis of 2-aryloxypropanoic acids analogues of clofibric acid and assignment of the absolute configuration by 1H NMR spectroscopy and DFT calculations
2008-01-01 Ammazzalorso, Alessandra; Bettoni, Giancarlo; DE FILIPPIS, Barbara; Fantacuzzi, Marialuigia; Giampietro, Letizia; Giancristofaro, Antonella; Maccallini, Cristina; Re, Nazzareno; Amoroso, Rosa; Coletti, Cecilia
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