BARONE, VINCENZO
BARONE, VINCENZO
Approche statique et dynamique de la réactivité: une étude DFT comparative
2004 L., Joubert; Pavone, Michele; Barone, Vincenzo; C., Adamo
Accurate ground and excited state studies for molecular systems of biological interest.
2007 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; Barone, Vincenzo
Tecniche di partizione nel calcolo di biomolecole e nanomolecole
2007 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
Integrated computational approach to modelling physico-chemical processes of biological and technological relevance
2008 Barone, Vincenzo
The in silico route to predictive modelling: development of new codes, parallel and grid implementations, validations, and applications.
2007 Barone, Vincenzo
Computational of Spectroscopic Parameters of Biological Molecules
2005 V., Persico; Crescenzi, Orlando; Barone, Vincenzo
Probing the H-Bond network of nitroxide free radicals in different solvent environment
2005 Pavone, Michele; P., Cimino; A., Sillanpaa; Barone, Vincenzo
Benchmark calculations on Nucleobases: Uracil as a Test Case
2008 C., Puzzarini; Barone, Vincenzo
Ab initio study of the vibronically resolved linear and nonlinear absorption and circular dichroism spectra
2008 N., Lin; F., Santoro; A., Rizzo; Y., Luo; X., Zhao; Barone, Vincenzo
Spin density and magnetic properties of organic free radicals
2008 Barone, Vincenzo; I., Cacelli; A., Ferretti; C., Puzzarini
Applications of the new N07D basis set for the calculation of structural and magnetic properties
2008 P., Cimino; Barone, Vincenzo; P., Stipa
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
Development and application of time dependent and time independent models for the study of spectroscopic properties in compounds of biological interest
2008 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
Applicazioni dell'HPC per la "Soft Matter": fra Scienze della Vita e Scienza dei Materiali
2008 Crescenzi, Orlando; Barone, Vincenzo
Integrated computational approaches for ground and excited state studies for molecular systems of biological interest
2008 Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Pavone, Michele; 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
Studio teorico di nuovi dipositivi di memoria: effetti intrinseci e dell'ambiente sui componenti molecolari
2008 Pino, Ilaria; Causa', Mauro; Barone, Vincenzo