Vincenzo Barone

Email: vincenzo.barone@sns.it
Webpage: www.sns.it/en/scienze/menunews/docentiscienze/baronevincenzo/
Group Website:lsdm.campusgrid.unina.it

Professor, Theoretical and Computational Chemistry, Scuola Normale Superiore di Pisa, Italy
Advisorial Board of Theoretical Chemistry Accounts and Board of Physical Chemistry Division for the Computational Chemistry Group, Italian Society of Chemistry
Ph.D., Chemistry-University of Napoli Federico II
Post Doc, Universities of Marseille, Grenoble, Paris, Erlangen-Nurnberg, Montreal

Contributions to Gaussian: Solvation methods, DFT functionals

Research Interests

• Development, validation and application methods for the study of physico-chemical processes in liquid solutions
• Development of original and effective approaches using the density functional theory
• Accurate description of solute-solvent interactions (through mixed discrete-continuum models) inclusion of the most important effects thereof
• Nuclear motions (vibrational averaging of physico-chemical properties, reaction rates)

Selected Publications

C.Adamo, M.Cossi, G.Scalmani, V.Barone, "Accurate Static Polarizabilities by Density Functional Theory: Assessment of the PBE0 Model," Chemical Physics Letters, 307 (1999) 265-271.

A.di Matteo, V.Barone, "Development and Validation of Effective Computational strategies for the Study of Metal-Nitroxide systems," Journal of Physical Chemistry A, 103 (1999) 7676.

C.Adamo, R.Arnaud, G.Scalmani, H.Mueller, F.Sahli, V.Barone, "Theoretical Study of a new Building Block for Organic Conductors: Tetrathiapentalene and its Radical Cation," Journal of Physical Chemistry B, 103 (1999) 6863.

M.Cossi, V.Barone, M.Robb, "A Direct Procedure for the Evaluation of Solvent Effects in MC-SCF Calculations," Journal of Chemical Physics, 111 (1999) 5295.

C.Adamo, G.Scuseria, V.Barone, "Accurate Excitation Energies from Time-Dependent Density Functional Theory: Assessing the PBE0 Model," Journal of Chemical Physics, 111 (1999) 2889.

Last update: 13 January 2010