NUNZI, Francesca

NUNZI, Francesca  

DIPARTIMENTO DI CHIMICA, BIOLOGIA E BIOTECNOLOGIE  

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Risultati 1 - 20 di 52 (tempo di esecuzione: 0.018 secondi).
Titolo Data di pubblicazione Autore(i) File
A density functional study of (PH3)2M(eta2-C2X4) alkene complexes for the group 10 metals Ni, Pd, Pt: the effect of electron-attracting substituents 1-gen-1999 Nunzi, Francesca; Sgamellotti, Antonio; Re, Nazzareno; C., Floriani
A density functional study of C60 transition metal complexes 1-gen-2000 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.; Floriani, C.
A pyracyclene model for the interaction of transition metals with fullerenes: a density functional study 1-gen-2002 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.
Ab Initio Simulation of the Absorption Spectra of Photoexcited Carriers in TiO2 Nanoparticles 1-gen-2016 Nunzi, Francesca; DE ANGELIS, Filippo; Selloni, Annabella
Adsorption and Interfacial Chemistry of Pentacene on the Clean Si(100) Surface: a Density Functional Study 1-gen-2008 Nunzi, Francesca; Sgamellotti, Antonio; Coletti, C.; Re, N.
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds 1-gen-2020 Ciancaleoni, G.; Nunzi, F.; Belpassi, L.
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation 1-gen-2019 Cesario, Diego; Nunzi, Francesca; Belpassi, Leonardo; Pirani, Fernando; Ronca, Enrico; Tarantelli, Francesco
Classifying the chemical bonds involving the noble-gas atoms 1-gen-2020 Borocci, S.; Grandinetti, F.; Nunzi, F.; Sanna, N.
Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character 1-gen-2020 Borocci, S.; Grandinetti, F.; Sanna, N.; Antoniotti, P.; Nunzi, F.
Cooperative role of halogen and hydrogen bonding in the stabilization of water adducts with apolar molecules 1-gen-2018 De Santis, M.; Nunzi, F.; Cesario, D.; Belpassi, L.; Tarantelli, F.; Cappelletti, D.; Pirani, F.
Coordination and Haptotropic Rearrangement of Cr(CO)3 on (n,0) Nanotubes Sidewalls: a Dynamical Density Functional Study 1-gen-2004 Nunzi, Francesca; Mercuri, F.; De Angelis, F.; Sgamellotti, Antonio; Re, N.; Giannozzi, P.
Cr(CO)3 activated Diels-Alder reaction on single-wall carbon nanotubes: a DFT investigation 1-gen-2009 Nunzi, Francesca; Sgamellotti, Antonio; De Angelis, F.
Density Functional Study of Carbon-Carbon Bond Activation in Curved Polyaromatic Hydrocarbons by Transition-Metal Complexes 1-gen-2002 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.
Density Functional Study of the Dissociative Adsorption of Aromatic Molecules on the Si(100) Surface: On the Way from Benzene to Larger Polycyclic Hydrocarbons 1-gen-2007 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.
A Density Functional Study on the Interaction of a Polycyclic Aromatic Molecule and the Silicon (001) Surface 1-gen-2004 Nunzi, Francesca; Re, N.; Sgamellotti, Antonio
The Dependence Of The Spectroscopic Properties Of Orcein Dyes On The Hydrogen Bonding From Protic Solvents: Insights From Theory And Experiments 1-gen-2021 Clementi, Catia; Romani, Aldo; Elisei, Fausto; De Angelis, Filippo; Daus, Federica; Nunzi, Francesca
DFT Investigations of Formic Acid Adsorption on Single-Wall TiO2 Nanotubes: Effect of the Surface Curvature 1-gen-2011 Nunzi, Francesca; De Angelis, F.
Green Solvent-Based Perovskite Precursor Development for Ink-Jet Printed Flexible Solar Cells 1-gen-2021 Wilk, B.; Oz, S.; Radicchi, E.; Unlu, F.; Ahmad, T.; Herman, A. P.; Nunzi, F.; Mathur, S.; Kudrawiec, R.; Wojciechowski, K.
The halogen-bond nature in noble gas-dihalogen complexes from scattering experiments and Ab initio calculations 1-gen-2019 Nunzi, F.; Di Erasmo, B.; Tarantelli, F.; Cappelletti, D.; Pirani, F.
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond 1-gen-2017 Nunzi, Francesca; Cesario, Diego; Pirani, Fernando; Belpassi, Leonardo; Frenking, Gernot; Grandinetti, Felice; Tarantelli, Francesco