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Vincenzo Barone
2010 – today
- 2012
[j19]Mark J. Ablowitz, Vincenzo Barone, Silvana De Lillo, M. Sommacal: Traveling Waves in Elastic Rods with Arbitrary Curvature and Torsion. J. Nonlinear Science 22(6): 1013-1040 (2012)
2000 – 2009
- 2009
- [j18]Mirco Zerbetto, Antonino Polimeno, Vincenzo Barone: Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach. Computer Physics Communications 180(12): 2680-2697 (2009)
- [j17]Vincenzo Barone, Mirco Zerbetto, Antonino Polimeno: Hydrodynamic modeling of diffusion tensor properties of flexible molecules. Journal of Computational Chemistry 30(1): 2-13 (2009)
- [j16]Vincenzo Barone, Maurizio Casarin, Daniel Forrer, Michele Pavone, Mauro Sambi, Andrea Vittadini: Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases. Journal of Computational Chemistry 30(6): 934-939 (2009)
- [j15]Fabio Trani, M. Causà, S. Lettieri, A. Setaro, Domenico Ninno, Vincenzo Barone, P. Maddalena: Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts. Microelectronics Journal 40(2): 236-238 (2009)
- 2008
- [j14]Fabrizio Santoro, Vincenzo Barone, Roberto Improta: Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case. Journal of Computational Chemistry 29(6): 957-964 (2008)
- 2005
- [j13]Philippe Carbonniere, Tecla Lucca, Claude Pouchan, Nadia Rega, Vincenzo Barone: Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules. Journal of Computational Chemistry 26(4): 384-388 (2005)
- [j12]Caterina Benzi, Maurizio Cossi, Roberto Improta, Vincenzo Barone: Building cavities in a fluid of spherical or rod-like particles: A contribution to the solvation free energy in isotropic and anisotropic polarizable continuum model. Journal of Computational Chemistry 26(11): 1096-1105 (2005)
- 2004
- [j11]Roberto Improta, Vincenzo Barone: Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions. Journal of Computational Chemistry 25(11): 1333-1341 (2004)
- 2003
- [j10]Maurizio Cossi, Nadia Rega, Giovanni Scalmani, Vincenzo Barone: Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. Journal of Computational Chemistry 24(6): 669-681 (2003)
- 2002
- [j9]Caterina Benzi, Roberto Improta, Giovanni Scalmani, Vincenzo Barone: Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution. Journal of Computational Chemistry 23(3): 341-350 (2002)
- [j8]Emma Langella, Nadia Rega, Roberto Improta, Orlando Crescenzi, Vincenzo Barone: Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model. Journal of Computational Chemistry 23(6): 650-661 (2002)
- 2000
- [j7]Roger Arnaud, Valentina Vetere, Vincenzo Barone: Quantum mechanical study of regioselectivity of radical additions to substituted olefins. Journal of Computational Chemistry 21(8): 675-691 (2000)
- [j6]Carlo Adamo, Vincenzo Barone: Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies. Journal of Computational Chemistry 21(13): 1153-1166 (2000)
1990 – 1999
- 1999
- [j5]Nadia Rega, Maurizio Cossi, Vincenzo Barone: Improving performance of polarizable continuum model for study of large molecules in solution. Journal of Computational Chemistry 20(11): 1186-1198 (1999)
- [j4]Christian Silvio Pomelli, Jacopo Tomasi, Maurizio Cossi, Vincenzo Barone: Effective generation of molecular cavities in polarizable continuum model by DefPol procedure. Journal of Computational Chemistry 20(16): 1693-1701 (1999)
- 1998
- [j3]Vincenzo Barone, Maurizio Cossi, Jacopo Tomasi: Geometry optimization of molecular structures in solution by the polarizable continuum model. Journal of Computational Chemistry 19(4): 404-417 (1998)
- [j2]Carlo Adamo, Vincenzo Barone: Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods. Journal of Computational Chemistry 19(4): 418-429 (1998)
- 1994
- [j1]Vincenzo Barone, Carlo Adamo: Modulation of Intramolecular Proton Transfer by Electronic Excitation and Environment: 2-Pyridone as a Case Study. Journal of Computational Chemistry 15(4): 395-404 (1994)
Coauthor Index
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last updated on 2013-05-25 21:25 CEST by the dblp team