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16Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLVincenzo Barone, Mirco Zerbetto, Antonino Polimeno: Hydrodynamic modeling of diffusion tensor properties of flexible molecules. Journal of Computational Chemistry 30(1): 2-13 (2009)
15Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLVincenzo 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)
2008
14Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLFabrizio 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
13Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLCaterina 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)
12Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLPhilippe 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)
2004
11Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLRoberto 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
10Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLMaurizio 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
9Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLCaterina 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)
8Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLEmma 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
7Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLCarlo 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)
6Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLRoger 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)
1999
5Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLNadia 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)
4Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLChristian 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
3Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLVincenzo 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)
2Electronic Edition pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLCarlo 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
1no EE pubzone.org CiteSeerX Google scholar BibTeX bibliographical record in XMLVincenzo 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

1Carlo Adamo [1] [2] [7]
2Roger Arnaud [6]
3Caterina Benzi [9] [13]
4Philippe Carbonniere [12]
5Maurizio Casarin [15]
6Maurizio Cossi [3] [4] [5] [10] [13]
7Orlando Crescenzi [8]
8Daniel Forrer [15]
9Roberto Improta [8] [9] [11] [13] [14]
10Emma Langella [8]
11Tecla Lucca [12]
12Michele Pavone [15]
13Antonino Polimeno [16]
14Christian Silvio Pomelli [4]
15Claude Pouchan [12]
16Nadia Rega [5] [8] [10] [12]
17Mauro Sambi [15]
18Fabrizio Santoro [14]
19Giovanni Scalmani [9] [10]
20Jacopo Tomasi [3] [4]
21Valentina Vetere [6]
22Andrea Vittadini [15]
23Mirco Zerbetto [16]

Colors in the list of coauthors

Copyright © Sat Nov 14 20:26:04 2009 by Michael Ley (ley@uni-trier.de)