BARONE, Vincenzo

BARONE, Vincenzo  

Classe di Scienze  

Mostra records
Risultati 1 - 20 di 869 (tempo di esecuzione: 0.045 secondi).
Titolo Data di pubblicazione Autori Tipo File
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 2021 Dangalov M.Mazzeo G.Abbate S.Paoloni L.Fuse' M.Barone V. + 1.1 Articolo in rivista
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 2021 Potenti S.Spada L.Fuse' M.Mancini G.Puzzarini C.Barone V. + 1.1 Articolo in rivista
: Oxidative chemistry of 2-nitro and 4-nitroestradiol: Dichotomous behavior of radical intermediates and novel potential routes for oxyfunctionalization and B-ring fission of steroidal scaffolds 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
??? Computational of Spectroscopic Parameters of Biological Molecules 2005 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 1997 BARONE, Vincenzo + 1.1 Articolo in rivista
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 2014 EGIDI, FRANCOCAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 1997 BARONE, Vincenzo + 1.1 Articolo in rivista
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 2021 Tasinato N.Barone V.Daidone I. + 1.1 Articolo in rivista
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond 2021 Barone V.Fuse' M.Tasinato N. + 1.1 Articolo in rivista
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 2004 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 2006 BARONE, Vincenzo + 1.1 Articolo in rivista
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 2008 BARONE, Vincenzo + 1.1 Articolo in rivista
A density functional study of thorium tetrahalides 2000 BARONE, Vincenzo + 1.1 Articolo in rivista
A diabatic electronic state system to describe the internal conversion of azulene 2017 BANERJEE, ShiladityaSkouteris, DimitriosBarone, Vincenzo 4.1 Contributo in Atti di convegno
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 2008 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
A fully automated implementation of VPT2 infrared intensities 2010 BARONE, VincenzoJ. Bloino + 1.1 Articolo in rivista
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 2013 BARONE, VincenzoChiara Cappelli + 1.1 Articolo in rivista