NUNZI, Francesca
NUNZI, Francesca
Dipartimento di Chimica, Biologia e Biotecnologie
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
1999 Nunzi, Francesca; Sgamellotti, Antonio; Re, Nazzareno; C., Floriani
A density functional study of C60 transition metal complexes
2000 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.; Floriani, C.
A Density Functional Study on the Interaction of a Polycyclic Aromatic Molecule and the Silicon (001) Surface
2004 Nunzi, Francesca; Re, N.; Sgamellotti, Antonio
A pyracyclene model for the interaction of transition metals with fullerenes: a density functional study
2002 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.
Ab Initio Simulation of the Absorption Spectra of Photoexcited Carriers in TiO2 Nanoparticles
2016 Nunzi, Francesca; DE ANGELIS, Filippo; Selloni, Annabella
Adsorption and Interfacial Chemistry of Pentacene on the Clean Si(100) Surface: a Density Functional Study
2008 Nunzi, Francesca; Sgamellotti, Antonio; Coletti, C.; Re, N.
Charge displacement analysis — A tool to theoretically characterize the charge transfer contribution of halogen bonds
2020 Ciancaleoni, G.; Nunzi, F.; Belpassi, L.
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation
2019 Cesario, Diego; Nunzi, Francesca; Belpassi, Leonardo; Pirani, Fernando; Ronca, Enrico; Tarantelli, Francesco
Classifying the chemical bonds involving the noble-gas atoms
2020 Borocci, S.; Grandinetti, F.; Nunzi, F.; Sanna, N.
Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character
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
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
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
2009 Nunzi, Francesca; Sgamellotti, Antonio; De Angelis, F.
Density Functional Study of Carbon-Carbon Bond Activation in Curved Polyaromatic Hydrocarbons by Transition-Metal Complexes
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
2007 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.
DFT Investigations of Formic Acid Adsorption on Single-Wall TiO2 Nanotubes: Effect of the Surface Curvature
2011 Nunzi, Francesca; De Angelis, F.
Functionalized BODIPYs as Tailor-Made and Universal Interlayers for Efficient and Stable Organic and Perovskite Solar Cells
2022 Soultati, Anastasia; Nunzi, Francesca; Fakharuddin, Azhar; Verykios, Apostolis; Armadorou, Konstantina K.; Tountas, Marinos; Panagiotakis, Stylianos; Polydorou, Ermioni; Charisiadis, Asterios; Nikolaou, Vasilis; Papadakis, Michael; Charalambidis, Georgios; Nikoloudakis, Emmanouil; Yannakopoulou, Konstantina; Bao, Xichang; Yang, Chunming; Dunbar, Alan D. F.; Kymakis, Emmanuel; Palilis, Leonidas C.; Rashid Bin Mohd Yusoff, Abd; Argitis, Panagiotis; Coutsolelos, Athanassios G.; DE ANGELIS, Filippo; Khaja Nazeeruddin, Mohammad; Vasilopoulou, Maria
Green Solvent-Based Perovskite Precursor Development for Ink-Jet Printed Flexible Solar Cells
2021 Wilk, B.; Oz, S.; Radicchi, E.; Unlu, F.; Ahmad, T.; Herman, A. P.; Nunzi, F.; Mathur, S.; Kudrawiec, R.; Wojciechowski, K.
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond
2017 Nunzi, Francesca; Cesario, Diego; Pirani, Fernando; Belpassi, Leonardo; Frenking, Gernot; Grandinetti, Felice; Tarantelli, Francesco
Inherent Electronic Trap States in TiO2 Nanocrystals: Effect of Saturation and Sintering
2013 Nunzi, Francesca; Mosconi, E.; Storchi, L.; Ronca, Enrico; Selloni, A.; Grätzel, M.; De Angelis, F.