BARONE, VINCENZO
BARONE, VINCENZO
Toward spectroscopic accuracy for organic free radicals: Molecular structure, vibrational spectrum, and magnetic properties of F2NO
2008 C., Puzzarini; Barone, Vincenzo
Integrated Approach for Modeling the Emission Fluorescence of 4-(N,N-Dimethylamino)benzonitrile in Polar Environments
2008 S., Carlotto; A., Polimeno; C., Ferrante; C., Benzi; Barone, Vincenzo
The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: a comparative study by time-dependent DFT calculations
2008 R., Improta; Barone, Vincenzo
An integrated computational approach for the modeling of CW-ESR spectra of free radicals in solution
2006 P., Cimino; A., Polimeno; Barone, Vincenzo
Ab Initio Prediction of the Emission Color in Phosphorescent Iridium(III) Complexes for OLEDs
2008 F., De Angelis; F., Santoro; M. K., Nazeruddin; Barone, Vincenzo
An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments
2008 S., Carlotto; R., Riccò; C., Ferrante; M., Maggini; A., Polimeno; C., Benzi; Barone, Vincenzo
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case
2008 C., Puzzarini; Barone, Vincenzo
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
Modelling polymerization reaction at aluminum based catalysts: is DFT a reliable computational tool
2001 Talarico, G.; Barone, Vincenzo; Budzelaar, Petrus Henricus Maria; Adamo, C.
Integrated experimental and theoretical approach for the structural characterization of Hg2+aqueous solutions
2008 P., D'Angelo; V., Migliorati; G., Mancini; Barone, Vincenzo; G., Chillemi
Hydrogen bond effects on the structure and magnetic properties of nitroxide free radicals
2005 P., Cimino; Barone, Vincenzo
A Mean Field Approach for Molecular Simulations of Liquids and Solutions
2005 Brancato, Giuseppe; A., Di Nola; Barone, Vincenzo; A., Amadei
Microscopic Modeling of Spectroscopic and Reactive Processes in Complex Systems: a Hopeless Challenge?
2005 Barone, Vincenzo
Development and application of time dependent and time independent models for the study of spectroscopic properties in compounds of biological interest
2008 Barone, Vincenzo
Barre elastiche in biologia e nella scienza dei materiali. Un modello generale integrabile
2008 Argeri, Mario; Barone, Vincenzo; S., De Lillo; G., Lupo; M., Sommacal
Applicazioni dell'HPC per la "Soft Matter": fra Scienze della Vita e Scienza dei Materiali
2008 Crescenzi, Orlando; Barone, Vincenzo
Approcci computazionali integrati per simulazioni di processi molecolari. Sviluppi ed applicazioni per lo studio di sistemi molecolari di interesse biologico
2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Crescenzi, Orlando; Barone, Vincenzo
Un approccio computazionale integrato per la modellizzazione di sistemi molecolari complessi in soluzione
2008 Brancato, Giuseppe; Rega, Nadia; Crescenzi, Orlando; Barone, Vincenzo
Sintesi e reattivitá di acidi nitrolinoleici, una nuova classe di mediatori fisiologici
2008 Capelli, L.; Manini, Paola; Arzillo, M.; Crescenzi, Orlando; Napolitano, Alessandra; Barone, Vincenzo; D'Ischia, Marco
In silico evaluation of NMR observables in biomolecules
2008 Crescenzi, Orlando; Barone, Vincenzo