BARONE, Vincenzo

BARONE, Vincenzo  

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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 1-gen-2021 Dangalov M.Mazzeo G.Abbate S.Paoloni L.Fuse' M.Barone V. + 1.1 Articolo in rivista
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 1-gen-1997 BARONE, Vincenzo + 1.1 Articolo in rivista
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 1-gen-2021 Potenti S.Spada L.Fuse' M.Mancini G.Puzzarini C.Barone V. + 1.1 Articolo in rivista
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 1-gen-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 1-gen-2005 BARONE, Vincenzo + 1.1 Articolo in rivista
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 1-gen-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 1-gen-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 1-gen-2008 BARONE, Vincenzo + 1.1 Articolo in rivista
A density functional study of thorium tetrahalides 1-gen-2000 BARONE, Vincenzo + 1.1 Articolo in rivista
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 1-gen-1999 BARONE, Vincenzo + 1.1 Articolo in rivista
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 1-gen-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 1-gen-2005 BARONE, Vincenzo + 1.1 Articolo in rivista
A fully automated implementation of VPT2 infrared intensities 1-gen-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 1-gen-2013 BARONE, Vincenzo + 1.1 Articolo in rivista
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 1-gen-2014 Baiardi A.Bloino J.Barone V. 1.1 Articolo in rivista
A generalized polarizable continuum model for the study of heterogeneous dielectric environments 1-gen-2006 BARONE, Vincenzo + 1.1 Articolo in rivista
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 1-gen-2008 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A mean field approach for molecular simulations of fluid systems 1-gen-2005 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 1-gen-2005 BRANCATO, GiuseppeBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
A MICROSCOPIC APPROACH TO THE STRUCTURE AND THERMODYNAMIC PROPERTIES OF PEPTIDES AND PROTEINS 1-gen-1990 BARONE, Vincenzo + 1.1 Articolo in rivista