Recent papers (2004-2009):

• C. Uthaisar, V. Barone, and J. E. Peralta, “Lithium adsorption on zigzag graphene nanoribbons” J. Appl. Phys. (2009) Accepted.

• J. E. Peralta and V. Barone, “Magnetic Exchange Couplings from Noncollinear Spin Density Functional Perturbation Theory” J. Chem. Phys. 129, 194107 (2008). Link

• V. Barone and J. E. Peralta, “Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties” Nano Lett. 8, 2210 (2008). Link

• E. N. Brothers, A. F. Izmaylov, J. O. Normand, V. Barone, G. E. Scuseria, “Accurate solid-state band gaps via screened hybrid electronic structure calculations” J. Chem. Phys. 129, 011102 (2008). Link

• O. Hod, V. Barone, and G. E. Scuseria, “Half-metallic graphene nanodots”, Phys. Rev. B 77, 035411 (2008). Link

• O. Hod, V. Barone, J. E. Peralta, and G. E. Scuseria, "Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene Nanoribbons", Nano Lett. 7, 2295 (2007). Link

Hot paper V. Barone, O. Hod, and G. E. Scuseria. “Electronic Structure and Stability of Semiconducting Graphene Nanoribbons” Nano Lett. 6, 2748 (2006). Link

• V. Barone, A. Koller, and G. E. Scuseria. “Theoretical Nitrogen NMR Chemical Shifts in Octahedral Boron Nitride Cages” J. Phys. Chem. A.  110, 10844 (2006). Link

• V. Barone, Juan E. Peralta, J. Uddin, and G. E. Scuseria. “Screened exchange hybrid density functional study of the work function of pristine and doped single-walled carbon nanotubes” J. Chem. Phys. 124, 024709 (2006). Link

• J. Uddin, V. Barone, and G. E. Scuseria. “Energy storage capacity of polymeric Nitrogen” Mol. Phys. 104, 745 (2006).

• S. N. Maximoff, Juan E. Peralta, V. Barone, and G. E. Scuseria. “Assessment of density functionals for predicting one-bond carbon-hydrogen NMR spin-spin coupling constants” J. Chem. Theory Comput. 1, 541-545 (2005). Link

• V. Barone, J. E. Peralta, and G. E. Scuseria. “Optical transitions in metallic single-walled carbon nanotubes” Nano Lett. 5, 1830 (2005). Link

• V. Barone, J. E. Peralta, M. Wert, J. Heyd, and G. E. Scuseria. “Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes” Nano Lett. 5, 1621-1624 (2005). Link

• E. Díez, J. Casanueva, J. San Fabian, E. Esteban, M. P. Galache, V. Barone, J. E. Peralta, and R. H. Contreras. “Prediction of vicinal proton-proton coupling constants ³J_HH from DFT calculations” Mol. Phys. 103, 1307-1326 (2005).

• R. H. Contreras, J. E. Peralta, V. Barone, and G. E. Scuseria, “Theoretical NMR ⁿJ(¹³C,¹³C) scalar couplings as probes to study diamagnetic ring currents in fullerenes” Adv. Quantum Chem. 48, 127 (2005).

• V. Barone and G. E. Scuseria. “Theoretical study of the electronic properties of narrow single-walled carbon nanotubes: beyond the local density approximation” J.  Chem. Phys. 121, 10376-10379 (2004). Link

• G. de Kowalewski, E. Diez, A. L. Esteban, V. Barone, J. E. Peralta, and R. H. Contreras. “Substituent effects on scalar J(¹³C, ¹³C) couplings in pyrimidines. An experimental and DFT study” Magn. Res. Chem. 42, 938-943 (2004). Link

• J. E. Peralta, V. Barone, G. E. Scuseria, and R. H Contreras. “Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C₇₀” J. Am. Chem. Soc. 126, 7428-7429 (2004). Link

• V. Barone, J. Heyd, and G. E. Scuseria. “Effect of oxygen chemisorption on the energy gap of chiral single-walled carbon nanotubes” Chem. Phys. Lett. 389, 289-292 (2004). Link

• V. Barone, J. Heyd, and G. E. Scuseria.  “Interaction of atomic hydrogen with single-walled carbon nanotubes: A density functional theory study” J. Chem. Phys.  120, 7169-7173 (2004). Link

• V. Barone, J. E. Peralta, and R. H. Contreras. NMR Scalar Couplings and Molecular Interactions. Encyclopedia of Computational Chemistry. Online