BARONE, VINCENZO
BARONE, VINCENZO
Istituto per la Conservazione e la Valorizzazione dei Beni Culturali - ICVBC - Sede Sesto Fiorentino (attivo dal 18/11/1923 al 31/12/2021)
The Italian National Project of Astrobiology-Life in Space-Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles
2020 Onofri, Silvano; Balucani, Nadia; Barone, Vincenzo; Benedetti, Piero; Billi, Daniela; Balbi, Amedeo; Brucato, John Robert; Cobucci Ponzano, Beatrice; Costanzo, Giovanna; La Rocca, Nicoletta; Moracci, Marco; Saladino, Raffaele; Vladilo, Giovanni
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations
2011 Pedone, Alfonso; Prampolini, Giacomo; Monti, Susanna; Barone, Vincenzo
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets
2011 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Monti, Susanna; Prampolini, Giacomo
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing
2011 Monti, S; Cacelli, I; Ferretti, A; Prampolini, G; Barone, V
Computation of the lineshape of electronic spectra in solution within polarizable continuum models: Accounting for both vibrational structure and inhomogeneous broadening
2011 Avila, F; Improta, R; Santoro, F; Barone, V
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach
2011 Avila Ferrer F. J.; Improta R.; Santoro F.; Barone V.
Differences in the lineshapes of absorption and emission electronic spectra in gas phase and in polar solution
2011 Avila F.; Barone V.; Improta R.; Santoro F.
Efficient time-independent method for the calculation of resonance Raman spectra in sizeable molecules including Duschinsky and Herzberg-Teller effects
2011 Santoro F.; Cappelli C.; Barone V.
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach
2011 Barone, Vincenzo; Bloino, Julien; Monti, Susanna; Pedone, Alfonso; Prampolini, Giacomo
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations
2011 Monti, Susanna; Prampolini, Giacomo; Barone, Vincenzo
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface
2011 Barone, V; Casarin, M; Forrer, D; Monti, S; Prampolini, G
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study
2011 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Monti, Susanna; Prampolini, Giacomo
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties
2011 Pedone, Alfonso; Prampolini, Giacomo; Monti, Susanna; Barone, Vincenzo
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach
2011 Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Monti, Susanna; Prampolini, Giacomo
The interplay between pipi* and npi* lowest excited states in nonradiative decay of photoexcited thymine
2011 Picconi, D; Barone, V; Lami, A; Santoro, F; Improta, R
The ÀÀ*/nÀ* decay in photoexcited pyrimidine nucleobases. A quantum dynamical study Holistic Computational Spectroscopy: innovative concepts, modern tools, strategic vision and challenges
2011 Picconi D.; Barone V.; Lami A.; Improta R.; Santoro F.
Theoretical Study of the Conformational and Optical Properties of a Fluorescent Sensor Grafted on Apolar Polymer Structures
2011 Monti, S; Cicogna, F; Passaglia, E; Prampolini, G; Barone, V
Time-independent approaches to simulate electronic spectra lineshapes. From small molecules to mactrosystems , in Computational Strategies for Spectroscopy: from Small Molecules to Nano Systems
2011 Biczysko M.; Bloino J.; Santoro F.; Barone V.
Computational approach to the study of the lineshape of absorption and electronic circular dichroism spectra
2010 Santoro, F; Barone, V
Cyclic Structural Motifs in 5,6-Dihydroxyindole Polymerization Uncovered: Biomimetic Modular Buildup of a Unique Five-Membered Macrocycle
2010 Arzillo, M; Pezzella, A; Crescenzi, O; Napolitano, A; Land, E J; Barone, V; Dischia, M