Sfoglia per Autore
Ab initio study of electron affinity variation induced by organic molecule adsorption on the silicon (001) surface
2007 Borriello, Ivo; Cantele, Giovanni; Ninno, Domenico; Iadonisi, Giuseppe; Cossi, Maurizio; Barone, Vincenzo
First and second derivatives of the free energy in solution
2007 Cossi, Maurizio; Rega, Nadia
Order Parameters of α,ω-diphenylpolyenes in a nematic Liquid Crystal from an Integrated Computational and 13C NMR Spectroscopic Approach
2006 Benzi, Caterina; Cossi, Maurizio; Barone, Vincenzo; R., Tarroni; C., Zannoni
Theoretical models of the interaction between organic molecules and semiconductor surfaces
2006 Cossi, Maurizio
A theoretical study of ethylene, cyclopentene and 1-amino-3-cyclopentene adsorption on the silicon <100> surface
2006 Cantele, Giovanni; Trani, Fabio; Ninno, Domenico; Cossi, Maurizio; Barone, Vincenzo
A polarizable continuum approach for the study of heterogeneous dielectric environments
2006 M. F., Iozzi; Cossi, Maurizio; R., Improta; Rega, Nadia; Barone, Vincenzo
Accurate prediction of electron-paramagnetic-resonance tensors for spin probes dissolved in liquid crystals
2005 Benzi, Caterina; Cossi, Maurizio; Barone, Vincenzo
Ab Initio Theoretical Study of Substituted Dicarboxylic Acids Adsorbed on GaAs Surfaces: Correlation between Microscopic Properties and Observed Electrical Behavior
2005 M. F., Iozzi; Cossi, Maurizio
DICARBOXYLIC ACIDS ABSORBED ON GAAS SURFACES: CORRELATION BETWEEN MICROSCOPIC QUANTITIES AND OBSERVED ELECTRICAL BEHAVIOUR
2005 Cossi, Maurizio; M., Iozzi
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data
2005 Benzi, Caterina; Cossi, Maurizio; Barone, Vincenzo; R., Tarroni; C., Zannoni
Building cavities in a fluid or ord-like particles: a contribution to the salvation free energy in isotropic and anisotropic polarizable continuum method.
2005 Benzi, Caterina; Cossi, Maurizio; R., Improta; Barone, Vincenzo
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface
2005 Festa, Gaetano; Cossi, Maurizio; Barone, Vincenzo; Cantele, Giovanni; Ninno, Domenico; Iadonisi, Giuseppe
Continuum solvation model for infinite periodic systems
2004 Cossi, Maurizio
Accurate and effective calculation of amide proton magnetic shieldings in a calcium binding peptide
2004 Benzi, Caterina; Cossi, Maurizio; Barone, Vincenzo
HYBRID DESCRIPTION OF SOLVENT EFFECTS IN AB INITIO CALCULATIONS
2004 Cossi, Maurizio; Rega, Nadia; R., Improta; Crescenzi, Orlando; Barone, Vincenzo
Solvent effects on 17O nuclear magnetic shielding: N-methylformamide in polar and apolar solutions
2004 Cossi, Maurizio; Crescenzi, Orlando
CONTINUUM SOLVATION MODEL FOR INFINITE PERIODIC SYSTEMS
2003 Cossi, Maurizio
SPECTROSCOPY IN SOLUTION. CONTINUUM, DISCRETE AND MIXED MODELS
2003 Cossi, Maurizio
Different models for the calculation of solvent effects on 17O nuclear magnetic shielding
2003 Cossi, Maurizio; Crescenzi, Orlando
Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model
2003 F., Aquilante; Cossi, Maurizio; Crescenzi, Orlando; Scalmani, Giovanni; Barone, Vincenzo
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