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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.
Density Functional Study of Carbon-Carbon Bond Activation in Curved Polyaromatic Hydrocarbons by Transition-Metal Complexes 2002 Nunzi, Francesca; Sgamellotti, Antonio; Re, N.
The coordination chemistry of carbon nanotubes: a density functional study through a cluster model approach 2002 Nunzi, Francesca; Mercuri, F.; 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.
The interaction of Cr(CO)3 on the (n,0) nanotube side-walls: a density functional study through a cluster model approach 2003 Nunzi, Francesca; Mercuri, F.; Sgamellotti, Antonio
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.
A Density Functional Study on the Interaction of a Polycyclic Aromatic Molecule and the Silicon (001) Surface 2004 Nunzi, Francesca; Re, N.; Sgamellotti, Antonio
Selective functionalization of the Si(100) surface by a bi-functional alkynilamine molecule: a density functional study of the switching adsorption linkage 2005 Nunzi, Francesca; Re, N.; Sgamellotti, Antonio
Selective functionalization of the Si(100) surface by a bi-functional alkynilamine molecule: a density functional study of the switching adsorption linkage. 2, 2006 Nunzi, Francesca; Re, N.; Sgamellotti, Antonio
Magnetic Communication through Functionalized Nanotubes: A Theoretical Study 2006 Ruiz, E.; Nunzi, Francesca; Alvarez, S.
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.
Strong Antiferromagnetic Coupling at Long Distance through a Ligand to Metal Charge Transfer Mechanism 2007 Nunzi, Francesca; Ruiz, E.; Cano, J.; Alvarez, S.
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.
Theoretical Investigation of the Effects of J-aggregation on the Linerar and Nonlinear Optical Properties of E-4-(4-Dimethylaminostyryl)-1-methylpyridinium [DAMS+] 2008 Nunzi, Francesca; Fantacci, S.; De Angelis, F.; Sgamellotti, Antonio; Cariati, E.; Ugo, R.; Macchi, P.
Theoretical Investigations of the Effects of J-Aggregation on the Linear and Nonlinear Optical Properties ofE-4-(4-Dimethylaminostyryl)-1-methylpyridinium [DAMS+] 2008 Nunzi, Francesca; Fantacci, Simona; De Angelis, Filippo; Sgamellotti, Antonio; Cariati, Elena; Ugo, Renato; Macchi, Piero
Cr(CO)3 activated Diels-Alder reaction on single-wall carbon nanotubes: a DFT investigation 2009 Nunzi, Francesca; Sgamellotti, Antonio; De Angelis, F.
Structure and electronic properties of TiO2 nanotubes and nanocrystals: a theoretical investigation 2010 Nunzi, Francesca; De Angelis, F.
Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties 2010 Nunzi, Francesca; Fantacci, S.; Cariati, E.; Tordin, E.; Casati, N.; Macchi, P.
DFT Investigations of Formic Acid Adsorption on Single-Wall TiO2 Nanotubes: Effect of the Surface Curvature 2011 Nunzi, Francesca; De Angelis, F.
Mostrati risultati da 1 a 20 di 55
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