BARONE, VINCENZO
BARONE, VINCENZO
A THEORETICAL INVESTIGATION OF THE GROUND END EXCITED STATES OF SELECTED RU AND OS POLYPYRIDYL MOLECULAR DYES,
2002 Barone, Vincenzo; Guillemoles, J.; Joubert, L.; Adamo, C.
DEVELOPMENT AND APPLICATION OF NEW COMPUTATIONAL STRATEGIES TO STUDY STRUCTURE AND PROPERTIES OF BIOMOLECULES IN CONDENSED PHASE.
2002 Barone, Vincenzo
RECENT ADVANCES IN COMPUTATIONAL CHEMISTRY - VOL. 1 (RECENT ADVANCES IN DENSITY FUNCTIONAL METHODS) PART III
2002 Barone, Vincenzo; A., Bencini; P., Fantucci
NEW PERSPECTIVES FOR THE MODELLING OF BIOMOLECULES IN CONDENSED PHASES BY QUANTUM MECHANICAL METHODS
2002 Barone, Vincenzo
Vibrationally resolved optical spectra of large molecules in solution including the temperature and Herzberg-Teller effects.
2007 F., Santoro; Barone, Vincenzo; R., Improta; A., Lami
Micellar aggregation of sulfonate surfactants studied by electron spin resonance of a cationic nitroxide: an experimental and computational approach
2002 Tedeschi, A. M.; D'Errico, G.; Busi, E.; Basosi, R.; Barone, Vincenzo
DFT description of the magnetic properties and electron transfer in dinuclear di-m-oxo bridged manganese complexes
2002 Barone, Vincenzo; Bencini, A.; Gatteschi, D.; Totti, F.
Effective generation of molecular cavities in the polarizable continuum model by the DefPol procedure
1999 Pomelli, C. S.; Tomasi, J.; Cossi, M.; Barone, Vincenzo
The ring opening reaction of cyclobutene radical cation: The effect of solvent on competing pathways
1999 Barone, Vincenzo; Rega, Nadia; Bally, T.; Sastry, G. N.
Intramolecular CH-O interaction between lactam oxygen and N-alkylic protons
2001 Barone, Vincenzo; Bolognese, A.; Correale, G.; Diurno, M. V.; GOMEZ MONTERREY, I.; Mazzoni, O.
Towards the understanding of the excited state behavior of nucleic acids: how solvent and stacking interactions modulate the structure and the reactivity of nucleobases excited state
2007 R., Improta; Barone, Vincenzo; F., Santoro
Accurate Computation of Fluorescence Spectra in Solution: a TD-DFT Study on the Excited States of Some Uracil Derivates
2005 R., Improta; Scalmani, Giovanni; M. J., Frisch; Barone, Vincenzo
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
From classical density functionals to adiabatic connection methods. The state of the art
1999 Adamo, C.; DI MATTEO, A.; Barone, Vincenzo
Accurate vibrational spectra and magnetic properties of organic free radicals. The case of H2CN
2005 Barone, Vincenzo; P., Carbonniere; C., Pouchan
Development and validation of effective computational strategies for the study of metal-nitroxide systems
1999 DI MATTEO, A.; Barone, Vincenzo
Medium-dependent competitive pathways in the reactions of polyunsaturated fatty acids with nitric oxide in the presence of oxygen. Structural characterisation of nitration products and a theoretical mechanistic insight
1999 D'Ischia, Marco; Rega, Nadia; Barone, Vincenzo
Probing the H-Bond network of nitroxide free radicals in different solvent environment
2005 Pavone, Michele; Cimino, P.; Sillanpaa, A.; Barone, Vincenzo
EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach
2007 Barone, Vincenzo; P., Cimino; Pavone, Michele
MD simulation of the Na+-phenylalanine complex in water: competition between cation-π interaction and aqueous salvation
2005 F., Costanzo; R. G., DELLA VALLE; Barone, Vincenzo